REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3pbk_1_A DATA FIRST_RESID 14 DATA SEQUENCE PXRYADFPTL VDALDYAALS SAGXNFYDRR CQLEDQLEYQ TLKARAEAGA DATA SEQUENCE KRLLSLNLKK GDRVALIAET SSEFVEAFFA CQYAGLVAVP LAIPXGVGQR DATA SEQUENCE DSWSAKLQGL LASCQPAAII TGDEWLPLVN AATHDNPELH VLSHAWFKAL DATA SEQUENCE PEADVALQRP VPNDIAYLQY TSGSTRFPRG VIITHREVXA NLRAISHDGI DATA SEQUENCE KLRPGDRCVS WLPFYHDXGL VGFLLTPVAT QLSVDYLRTQ DFAXRPLQWL DATA SEQUENCE KLISKNRGTV SVAPPFGYEL CQRRVNEKDL AELDLSCWRV AGIGAEPISA DATA SEQUENCE EQLHQFAECF RQVNFDNKTF XPCYGLAENA LAVSFSDEAS GVVVNEVDRD DATA SEQUENCE ILEYQGKAVA PGAETRAVST FVNCGKALPE HGIEIRNEAG XPVAERVVGH DATA SEQUENCE ICISGPSLXS GYFGDQVSQD EIAATGWLDT GDLGYLLDGY LYVTGRIKDL DATA SEQUENCE IIIRGRNIWP QDIEYIAEQE PEIHSGDAIA FVTAQEKIIL QIQCRISDEE DATA SEQUENCE RRGQLIHALA ARIQSEFGVT AAIDLLPPHS IPRTSSGKPA RAEAKKRYQK DATA SEQUENCE AYAAS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 14 P HA 0.000 nan 4.420 nan 0.000 0.216 14 P C 0.000 177.450 177.300 0.249 0.000 1.155 14 P CA 0.000 63.200 63.100 0.166 0.000 0.800 14 P CB 0.000 31.803 31.700 0.172 0.000 0.726 17 Y N 1.646 121.852 120.300 -0.156 0.000 2.736 17 Y HA 0.257 4.806 4.550 -0.002 0.000 0.339 17 Y C 1.085 176.923 175.900 -0.102 0.000 1.301 17 Y CA 0.362 58.417 58.100 -0.075 0.000 1.676 17 Y CB 0.724 39.167 38.460 -0.028 0.000 1.725 17 Y HN 0.948 nan 8.280 nan 0.000 0.466 18 A N -0.052 122.796 122.820 0.046 0.000 2.945 18 A HA -0.345 3.973 4.320 -0.002 0.000 0.263 18 A C 1.931 179.462 177.584 -0.089 0.000 1.293 18 A CA 1.198 53.296 52.037 0.103 0.000 0.944 18 A CB -1.741 17.325 19.000 0.110 0.000 1.093 18 A HN 0.676 nan 8.150 nan 0.000 0.786 19 D N -1.257 118.886 120.400 -0.428 0.000 2.432 19 D HA -0.209 4.429 4.640 -0.002 0.000 0.200 19 D C 0.598 176.567 176.300 -0.553 0.000 1.021 19 D CA 1.798 55.424 54.000 -0.624 0.000 0.936 19 D CB -0.205 40.005 40.800 -0.982 0.000 0.881 19 D HN 0.731 nan 8.370 nan 0.000 0.459 20 F N -0.566 119.349 119.950 -0.058 0.000 2.370 20 F HA 0.207 4.733 4.527 -0.002 0.000 0.324 20 F C -1.016 174.774 175.800 -0.017 0.000 1.116 20 F CA -2.094 55.880 58.000 -0.043 0.000 1.123 20 F CB -0.172 38.809 39.000 -0.032 0.000 1.238 20 F HN -0.262 nan 8.300 nan 0.000 0.536 21 P HA 0.022 nan 4.420 nan 0.000 0.218 21 P C -0.090 177.261 177.300 0.085 0.000 1.152 21 P CA 1.150 64.298 63.100 0.080 0.000 0.826 21 P CB 0.307 32.027 31.700 0.033 0.000 0.790 22 T N -1.226 113.375 114.554 0.080 0.000 2.916 22 T HA 0.306 4.654 4.350 -0.002 0.000 0.305 22 T C 0.846 175.594 174.700 0.080 0.000 1.119 22 T CA -0.586 61.500 62.100 -0.023 0.000 1.008 22 T CB 1.408 70.102 68.868 -0.292 0.000 1.129 22 T HN -0.229 nan 8.240 nan 0.000 0.480 23 L N 2.155 123.552 121.223 0.289 0.000 2.127 23 L HA -0.121 4.218 4.340 -0.002 0.000 0.211 23 L C 2.469 179.451 176.870 0.186 0.000 1.089 23 L CA 1.197 56.211 54.840 0.289 0.000 0.757 23 L CB -0.315 41.971 42.059 0.379 0.000 0.899 23 L HN 0.519 nan 8.230 nan 0.000 0.434 24 V N -0.530 119.394 119.914 0.017 0.000 2.307 24 V HA -0.279 3.840 4.120 -0.002 0.000 0.245 24 V C 2.123 178.113 176.094 -0.173 0.000 1.045 24 V CA 1.788 63.980 62.300 -0.180 0.000 1.024 24 V CB -0.472 31.006 31.823 -0.575 0.000 0.651 24 V HN 0.445 nan 8.190 nan 0.000 0.449 25 D N 0.603 120.901 120.400 -0.169 0.000 2.106 25 D HA -0.216 4.423 4.640 -0.002 0.000 0.191 25 D C 2.257 178.267 176.300 -0.483 0.000 0.997 25 D CA 1.915 55.812 54.000 -0.171 0.000 0.834 25 D CB -0.428 40.365 40.800 -0.010 0.000 0.956 25 D HN 0.429 nan 8.370 nan 0.000 0.448 26 A N 1.104 123.577 122.820 -0.579 0.000 1.869 26 A HA -0.219 4.099 4.320 -0.002 0.000 0.218 26 A C 2.228 179.459 177.584 -0.589 0.000 1.203 26 A CA 1.834 53.267 52.037 -1.006 0.000 0.638 26 A CB -0.963 17.872 19.000 -0.274 0.000 0.831 26 A HN 0.289 nan 8.150 nan 0.000 0.450 27 L N -0.261 120.816 121.223 -0.243 0.000 2.141 27 L HA -0.115 4.223 4.340 -0.002 0.000 0.209 27 L C 1.572 178.362 176.870 -0.134 0.000 1.094 27 L CA 2.480 57.196 54.840 -0.207 0.000 0.763 27 L CB -0.794 41.161 42.059 -0.174 0.000 0.908 27 L HN 0.327 nan 8.230 nan 0.000 0.437 28 D N -1.292 119.058 120.400 -0.084 0.000 2.123 28 D HA -0.270 4.368 4.640 -0.002 0.000 0.196 28 D C 1.967 178.246 176.300 -0.035 0.000 0.992 28 D CA 1.580 55.569 54.000 -0.019 0.000 0.833 28 D CB -0.225 40.570 40.800 -0.009 0.000 0.954 28 D HN 0.534 nan 8.370 nan 0.000 0.455 29 Y N 0.805 120.970 120.300 -0.225 0.000 2.242 29 Y HA -0.062 4.486 4.550 -0.002 0.000 0.291 29 Y C 2.128 177.973 175.900 -0.091 0.000 1.137 29 Y CA 1.511 59.536 58.100 -0.125 0.000 1.181 29 Y CB -0.111 38.277 38.460 -0.121 0.000 0.989 29 Y HN -0.048 nan 8.280 nan 0.000 0.527 30 A N -0.019 122.748 122.820 -0.087 0.000 2.016 30 A HA 0.091 4.410 4.320 -0.002 0.000 0.217 30 A C 2.198 179.744 177.584 -0.064 0.000 1.162 30 A CA 1.018 52.977 52.037 -0.130 0.000 0.662 30 A CB -1.131 17.645 19.000 -0.374 0.000 0.812 30 A HN 0.489 nan 8.150 nan 0.000 0.450 31 A N -0.471 122.310 122.820 -0.064 0.000 2.248 31 A HA 0.196 4.515 4.320 -0.002 0.000 0.210 31 A C 1.683 179.238 177.584 -0.048 0.000 1.174 31 A CA 0.789 52.818 52.037 -0.013 0.000 0.750 31 A CB -0.499 18.488 19.000 -0.021 0.000 0.780 31 A HN 0.477 nan 8.150 nan 0.000 0.478 32 L N -0.028 121.119 121.223 -0.126 0.000 2.585 32 L HA 0.081 4.420 4.340 -0.002 0.000 0.226 32 L C 1.437 178.229 176.870 -0.131 0.000 1.113 32 L CA 0.321 55.068 54.840 -0.156 0.000 0.876 32 L CB -0.193 41.702 42.059 -0.273 0.000 1.072 32 L HN 0.484 nan 8.230 nan 0.000 0.468 33 S N -0.967 114.683 115.700 -0.083 0.000 2.666 33 S HA 0.243 4.712 4.470 -0.002 0.000 0.279 33 S C 0.956 175.566 174.600 0.016 0.000 1.149 33 S CA 0.046 58.234 58.200 -0.021 0.000 1.020 33 S CB 1.386 64.609 63.200 0.038 0.000 1.127 33 S HN 0.149 nan 8.310 nan 0.000 0.537 34 S N -1.138 114.578 115.700 0.028 0.000 2.629 34 S HA 0.567 5.035 4.470 -0.002 0.000 0.236 34 S C 0.506 175.107 174.600 0.002 0.000 1.010 34 S CA -0.182 58.024 58.200 0.010 0.000 0.981 34 S CB -0.499 62.701 63.200 0.000 0.000 0.919 34 S HN 1.051 nan 8.310 nan 0.000 0.514 35 A N 0.702 123.552 122.820 0.050 0.000 2.259 35 A HA 0.910 5.228 4.320 -0.002 0.000 0.278 35 A C 0.680 178.092 177.584 -0.287 0.000 1.107 35 A CA -0.068 51.971 52.037 0.004 0.000 0.828 35 A CB 0.261 19.364 19.000 0.172 0.000 1.111 35 A HN 1.179 nan 8.150 nan 0.000 0.498 39 F N 1.981 121.970 119.950 0.066 0.000 2.411 39 F HA 0.418 4.943 4.527 -0.003 0.000 0.355 39 F C 0.091 175.868 175.800 -0.039 0.000 1.117 39 F CA -0.300 57.785 58.000 0.141 0.000 1.139 39 F CB 0.489 39.566 39.000 0.127 0.000 1.120 39 F HN 0.335 nan 8.300 nan 0.000 0.493 40 Y N 1.756 122.183 120.300 0.212 0.000 2.387 40 Y HA 0.272 4.820 4.550 -0.003 0.000 0.336 40 Y C 0.344 176.316 175.900 0.120 0.000 1.067 40 Y CA -1.213 56.964 58.100 0.128 0.000 1.114 40 Y CB 1.110 39.614 38.460 0.074 0.000 1.208 40 Y HN 0.603 nan 8.280 nan 0.000 0.458 41 D N 0.868 121.399 120.400 0.218 0.000 2.414 41 D HA 0.070 4.709 4.640 -0.002 0.000 0.259 41 D C 0.884 177.269 176.300 0.141 0.000 1.269 41 D CA -0.619 53.467 54.000 0.143 0.000 1.028 41 D CB 0.486 41.337 40.800 0.086 0.000 1.093 41 D HN 0.656 nan 8.370 nan 0.000 0.545 42 R N -1.013 119.542 120.500 0.091 0.000 2.339 42 R HA 0.094 4.432 4.340 -0.002 0.000 0.199 42 R C 0.730 177.066 176.300 0.060 0.000 1.018 42 R CA 0.459 56.601 56.100 0.070 0.000 1.036 42 R CB -0.175 30.149 30.300 0.039 0.000 0.899 42 R HN 0.234 nan 8.270 nan 0.000 0.473 43 R N 0.417 120.960 120.500 0.073 0.000 2.700 43 R HA 0.193 4.532 4.340 -0.002 0.000 0.377 43 R C -0.474 175.878 176.300 0.088 0.000 1.130 43 R CA -0.212 55.925 56.100 0.061 0.000 1.055 43 R CB 0.424 30.752 30.300 0.047 0.000 1.387 43 R HN 0.251 nan 8.270 nan 0.000 0.580 44 C N 2.308 121.679 119.300 0.118 0.000 3.563 44 C HA -0.137 4.321 4.460 -0.002 0.000 0.284 44 C C 0.108 175.280 174.990 0.304 0.000 1.356 44 C CA 0.764 59.874 59.018 0.154 0.000 2.166 44 C CB -1.814 25.920 27.740 -0.010 0.000 1.399 44 C HN 0.462 nan 8.230 nan 0.000 0.583 45 Q N -0.171 119.830 119.800 0.336 0.000 2.333 45 Q HA 0.480 4.819 4.340 -0.002 0.000 0.267 45 Q C -0.005 176.037 176.000 0.070 0.000 1.012 45 Q CA -0.586 55.350 55.803 0.223 0.000 0.824 45 Q CB 1.848 30.647 28.738 0.101 0.000 1.290 45 Q HN 0.685 nan 8.270 nan 0.000 0.449 46 L N 2.772 123.890 121.223 -0.175 0.000 2.615 46 L HA -0.061 4.277 4.340 -0.002 0.000 0.271 46 L C 1.108 177.840 176.870 -0.229 0.000 1.183 46 L CA 0.822 55.325 54.840 -0.561 0.000 0.933 46 L CB 0.404 42.208 42.059 -0.425 0.000 1.199 46 L HN 0.821 nan 8.230 nan 0.000 0.487 47 E N 2.429 122.520 120.200 -0.181 0.000 2.413 47 E HA 0.037 4.385 4.350 -0.002 0.000 0.203 47 E C -0.601 175.983 176.600 -0.027 0.000 0.957 47 E CA -0.006 56.362 56.400 -0.053 0.000 0.950 47 E CB 0.730 30.434 29.700 0.006 0.000 0.957 47 E HN 0.719 nan 8.360 nan 0.000 0.497 48 D N -0.352 120.053 120.400 0.007 0.000 2.734 48 D HA 0.092 4.731 4.640 -0.002 0.000 0.224 48 D C -1.783 174.634 176.300 0.195 0.000 1.222 48 D CA -0.384 53.655 54.000 0.064 0.000 0.761 48 D CB 1.293 42.093 40.800 -0.000 0.000 1.569 48 D HN 0.023 nan 8.370 nan 0.000 0.477 49 Q N 1.821 121.703 119.800 0.135 0.000 2.413 49 Q HA 0.739 5.077 4.340 -0.002 0.000 0.276 49 Q C -1.796 174.292 176.000 0.146 0.000 1.099 49 Q CA -1.012 54.867 55.803 0.126 0.000 0.814 49 Q CB 1.996 30.739 28.738 0.008 0.000 1.379 49 Q HN 0.423 nan 8.270 nan 0.000 0.436 50 L N 2.501 123.796 121.223 0.120 0.000 2.555 50 L HA 0.418 4.756 4.340 -0.002 0.000 0.264 50 L C -1.488 175.331 176.870 -0.084 0.000 0.972 50 L CA 0.063 54.955 54.840 0.087 0.000 0.876 50 L CB 1.890 44.105 42.059 0.260 0.000 1.216 50 L HN 0.694 nan 8.230 nan 0.000 0.415 51 E N 3.015 123.155 120.200 -0.100 0.000 2.366 51 E HA 0.129 4.478 4.350 -0.002 0.000 0.266 51 E C -0.114 176.402 176.600 -0.141 0.000 1.051 51 E CA -0.146 56.146 56.400 -0.181 0.000 0.884 51 E CB 0.878 30.522 29.700 -0.093 0.000 1.006 51 E HN 0.505 nan 8.360 nan 0.000 0.417 52 Y N 1.230 121.506 120.300 -0.039 0.000 2.181 52 Y HA -0.285 4.264 4.550 -0.002 0.000 0.288 52 Y C 2.493 178.339 175.900 -0.090 0.000 1.146 52 Y CA 1.506 59.557 58.100 -0.081 0.000 1.164 52 Y CB -0.523 37.886 38.460 -0.085 0.000 0.982 52 Y HN 0.655 nan 8.280 nan 0.000 0.515 53 Q N -0.137 119.710 119.800 0.078 0.000 2.082 53 Q HA -0.263 4.076 4.340 -0.002 0.000 0.211 53 Q C 1.960 177.954 176.000 -0.009 0.000 1.002 53 Q CA 2.959 58.771 55.803 0.015 0.000 0.868 53 Q CB -0.333 28.404 28.738 -0.001 0.000 0.931 53 Q HN 0.444 nan 8.270 nan 0.000 0.414 54 T N 1.452 115.997 114.554 -0.014 0.000 2.777 54 T HA -0.144 4.205 4.350 -0.002 0.000 0.266 54 T C 1.738 176.420 174.700 -0.030 0.000 1.040 54 T CA 1.175 63.261 62.100 -0.023 0.000 1.141 54 T CB -0.335 68.522 68.868 -0.018 0.000 0.868 54 T HN 0.360 nan 8.240 nan 0.000 0.444 55 L N 1.803 123.014 121.223 -0.019 0.000 2.012 55 L HA -0.070 4.268 4.340 -0.002 0.000 0.210 55 L C 2.320 179.117 176.870 -0.122 0.000 1.073 55 L CA 1.988 56.806 54.840 -0.037 0.000 0.748 55 L CB -0.618 41.436 42.059 -0.008 0.000 0.891 55 L HN 0.064 nan 8.230 nan 0.000 0.431 56 K N -0.381 119.940 120.400 -0.132 0.000 2.034 56 K HA -0.270 4.049 4.320 -0.002 0.000 0.214 56 K C 1.950 178.415 176.600 -0.225 0.000 1.051 56 K CA 1.861 58.031 56.287 -0.197 0.000 0.931 56 K CB -0.416 32.035 32.500 -0.082 0.000 0.715 56 K HN 0.536 nan 8.250 nan 0.000 0.446 57 A N 1.634 124.380 122.820 -0.123 0.000 1.851 57 A HA -0.188 4.131 4.320 -0.002 0.000 0.216 57 A C 2.140 179.655 177.584 -0.115 0.000 1.195 57 A CA 1.811 53.788 52.037 -0.100 0.000 0.622 57 A CB -0.637 18.328 19.000 -0.058 0.000 0.831 57 A HN 0.416 nan 8.150 nan 0.000 0.444 58 R N -0.503 119.942 120.500 -0.091 0.000 2.127 58 R HA -0.125 4.214 4.340 -0.002 0.000 0.238 58 R C 2.349 178.597 176.300 -0.085 0.000 1.134 58 R CA 1.163 57.220 56.100 -0.072 0.000 0.975 58 R CB -0.474 29.807 30.300 -0.032 0.000 0.865 58 R HN 0.549 nan 8.270 nan 0.000 0.447 59 A N 1.179 123.900 122.820 -0.164 0.000 1.897 59 A HA -0.156 4.162 4.320 -0.002 0.000 0.215 59 A C 1.898 179.290 177.584 -0.320 0.000 1.181 59 A CA 1.107 53.003 52.037 -0.235 0.000 0.620 59 A CB -0.215 18.539 19.000 -0.409 0.000 0.821 59 A HN 0.278 nan 8.150 nan 0.000 0.443 60 E N -0.124 119.836 120.200 -0.399 0.000 2.031 60 E HA -0.122 4.226 4.350 -0.002 0.000 0.193 60 E C 2.379 178.952 176.600 -0.046 0.000 0.994 60 E CA 1.049 57.341 56.400 -0.180 0.000 0.800 60 E CB -0.316 29.326 29.700 -0.098 0.000 0.752 60 E HN 0.588 nan 8.360 nan 0.000 0.447 61 A N 1.131 123.915 122.820 -0.060 0.000 1.865 61 A HA -0.176 4.142 4.320 -0.002 0.000 0.217 61 A C 2.465 180.038 177.584 -0.019 0.000 1.191 61 A CA 2.012 54.026 52.037 -0.039 0.000 0.623 61 A CB -1.444 17.518 19.000 -0.063 0.000 0.826 61 A HN 0.394 nan 8.150 nan 0.000 0.444 62 G N -0.616 108.175 108.800 -0.014 0.000 2.440 62 G HA2 -0.047 3.911 3.960 -0.002 0.000 0.218 62 G HA3 -0.047 3.911 3.960 -0.002 0.000 0.218 62 G C 1.764 176.784 174.900 0.200 0.000 1.154 62 G CA 1.670 46.828 45.100 0.096 0.000 0.767 62 G HN 0.907 nan 8.290 nan 0.000 0.552 63 A N 0.685 123.582 122.820 0.130 0.000 1.917 63 A HA -0.095 4.224 4.320 -0.002 0.000 0.219 63 A C 2.324 179.975 177.584 0.111 0.000 1.182 63 A CA 2.172 54.291 52.037 0.137 0.000 0.633 63 A CB -0.357 18.747 19.000 0.173 0.000 0.819 63 A HN 0.422 nan 8.150 nan 0.000 0.448 64 K N -0.948 119.502 120.400 0.084 0.000 2.076 64 K HA -0.025 4.293 4.320 -0.002 0.000 0.204 64 K C 2.353 178.992 176.600 0.066 0.000 1.051 64 K CA 0.932 57.257 56.287 0.063 0.000 0.949 64 K CB -0.164 32.361 32.500 0.041 0.000 0.726 64 K HN 0.379 nan 8.250 nan 0.000 0.443 65 R N 0.993 121.538 120.500 0.076 0.000 2.097 65 R HA -0.156 4.183 4.340 -0.002 0.000 0.236 65 R C 2.370 178.755 176.300 0.141 0.000 1.135 65 R CA 1.507 57.665 56.100 0.096 0.000 0.934 65 R CB -0.803 29.541 30.300 0.073 0.000 0.846 65 R HN 0.175 nan 8.270 nan 0.000 0.431 66 L N 0.854 122.203 121.223 0.209 0.000 2.089 66 L HA -0.242 4.096 4.340 -0.002 0.000 0.213 66 L C 2.446 179.337 176.870 0.035 0.000 1.079 66 L CA 1.340 56.248 54.840 0.113 0.000 0.758 66 L CB -0.376 41.728 42.059 0.076 0.000 0.891 66 L HN 0.272 nan 8.230 nan 0.000 0.433 67 L N -0.839 120.412 121.223 0.047 0.000 2.217 67 L HA -0.129 4.210 4.340 -0.002 0.000 0.211 67 L C 2.717 179.597 176.870 0.017 0.000 1.107 67 L CA 1.051 55.907 54.840 0.026 0.000 0.783 67 L CB -0.426 41.655 42.059 0.036 0.000 0.919 67 L HN 0.353 nan 8.230 nan 0.000 0.442 68 S N -0.031 115.684 115.700 0.025 0.000 2.469 68 S HA -0.120 4.349 4.470 -0.002 0.000 0.238 68 S C 1.564 176.166 174.600 0.003 0.000 0.998 68 S CA 0.710 58.921 58.200 0.019 0.000 0.957 68 S CB -0.458 62.758 63.200 0.028 0.000 0.764 68 S HN 0.446 nan 8.310 nan 0.000 0.514 69 L N 1.376 122.582 121.223 -0.029 0.000 2.645 69 L HA 0.297 4.635 4.340 -0.002 0.000 0.234 69 L C 0.523 177.361 176.870 -0.052 0.000 1.165 69 L CA -0.127 54.655 54.840 -0.097 0.000 0.944 69 L CB -1.184 40.717 42.059 -0.263 0.000 1.149 69 L HN 0.362 nan 8.230 nan 0.000 0.446 70 N N 0.159 118.856 118.700 -0.005 0.000 2.721 70 N HA -0.203 4.536 4.740 -0.002 0.000 0.249 70 N C -0.450 175.071 175.510 0.018 0.000 1.072 70 N CA 0.024 53.084 53.050 0.017 0.000 0.710 70 N CB -0.774 37.735 38.487 0.038 0.000 0.993 70 N HN 0.285 nan 8.380 nan 0.000 0.547 71 L N 0.089 121.311 121.223 -0.001 0.000 2.326 71 L HA 0.379 4.718 4.340 -0.002 0.000 0.278 71 L C 0.531 177.410 176.870 0.014 0.000 1.092 71 L CA -0.361 54.482 54.840 0.005 0.000 0.810 71 L CB 0.999 43.045 42.059 -0.021 0.000 1.153 71 L HN -0.043 nan 8.230 nan 0.000 0.439 72 K N 2.184 122.598 120.400 0.022 0.000 2.098 72 K HA 0.308 4.626 4.320 -0.002 0.000 0.258 72 K C -0.465 176.149 176.600 0.022 0.000 0.973 72 K CA -0.789 55.512 56.287 0.023 0.000 0.898 72 K CB 1.112 33.629 32.500 0.028 0.000 1.057 72 K HN 0.283 nan 8.250 nan 0.000 0.447 73 K N 0.352 120.765 120.400 0.022 0.000 2.559 73 K HA 0.022 4.341 4.320 -0.002 0.000 0.279 73 K C 0.778 177.396 176.600 0.030 0.000 0.967 73 K CA 1.595 57.896 56.287 0.022 0.000 1.000 73 K CB -0.077 32.435 32.500 0.021 0.000 0.890 73 K HN 0.678 nan 8.250 nan 0.000 0.501 74 G N 2.602 111.421 108.800 0.031 0.000 2.336 74 G HA2 -0.237 3.721 3.960 -0.002 0.000 0.233 74 G HA3 -0.237 3.721 3.960 -0.002 0.000 0.233 74 G C -0.237 174.692 174.900 0.048 0.000 1.053 74 G CA 0.210 45.338 45.100 0.047 0.000 0.625 74 G HN 0.745 nan 8.290 nan 0.000 0.511 75 D N 1.225 121.645 120.400 0.035 0.000 2.419 75 D HA 0.449 5.088 4.640 -0.002 0.000 0.236 75 D C 1.051 177.347 176.300 -0.007 0.000 1.165 75 D CA 0.369 54.386 54.000 0.027 0.000 0.882 75 D CB 0.415 41.228 40.800 0.023 0.000 1.201 75 D HN 0.455 nan 8.370 nan 0.000 0.443 76 R N 0.180 120.669 120.500 -0.020 0.000 2.474 76 R HA 0.577 4.916 4.340 -0.002 0.000 0.295 76 R C -0.861 175.410 176.300 -0.049 0.000 0.980 76 R CA -0.764 55.301 56.100 -0.057 0.000 0.934 76 R CB 1.577 31.812 30.300 -0.109 0.000 1.101 76 R HN 0.080 nan 8.270 nan 0.000 0.469 77 V N 2.546 122.422 119.914 -0.062 0.000 2.380 77 V HA 0.414 4.533 4.120 -0.002 0.000 0.286 77 V C -0.128 175.940 176.094 -0.043 0.000 1.015 77 V CA -1.066 61.193 62.300 -0.069 0.000 0.834 77 V CB 1.520 33.273 31.823 -0.118 0.000 1.009 77 V HN 0.946 nan 8.190 nan 0.000 0.428 78 A N 6.763 129.565 122.820 -0.029 0.000 2.492 78 A HA 0.653 4.972 4.320 -0.002 0.000 0.254 78 A C -0.333 177.275 177.584 0.040 0.000 1.091 78 A CA 0.104 52.144 52.037 0.004 0.000 0.768 78 A CB 0.010 18.995 19.000 -0.024 0.000 1.028 78 A HN 0.812 nan 8.150 nan 0.000 0.498 79 L N 3.552 124.856 121.223 0.136 0.000 2.329 79 L HA 0.374 4.713 4.340 -0.002 0.000 0.279 79 L C -0.314 176.716 176.870 0.267 0.000 1.014 79 L CA -0.867 54.120 54.840 0.245 0.000 0.814 79 L CB 1.604 43.930 42.059 0.446 0.000 1.257 79 L HN 0.502 nan 8.230 nan 0.000 0.424 80 I N 3.067 123.787 120.570 0.250 0.000 2.329 80 I HA 0.082 4.251 4.170 -0.002 0.000 0.295 80 I C 0.854 177.047 176.117 0.126 0.000 1.109 80 I CA 0.144 61.543 61.300 0.165 0.000 1.297 80 I CB 1.027 39.114 38.000 0.146 0.000 1.433 80 I HN 0.643 nan 8.210 nan 0.000 0.509 81 A N 7.251 130.039 122.820 -0.053 0.000 2.981 81 A HA 0.208 4.527 4.320 -0.002 0.000 0.280 81 A C 0.660 178.026 177.584 -0.364 0.000 1.743 81 A CA -0.358 51.351 52.037 -0.547 0.000 1.430 81 A CB -0.547 18.188 19.000 -0.442 0.000 1.085 81 A HN 0.703 nan 8.150 nan 0.000 0.597 82 E N 0.295 120.362 120.200 -0.221 0.000 2.349 82 E HA 0.230 4.578 4.350 -0.002 0.000 0.262 82 E C -0.199 176.296 176.600 -0.174 0.000 1.088 82 E CA -0.263 56.071 56.400 -0.110 0.000 0.899 82 E CB 0.687 30.411 29.700 0.040 0.000 1.044 82 E HN 0.400 nan 8.360 nan 0.000 0.420 83 T N 2.103 116.493 114.554 -0.274 0.000 3.455 83 T HA 0.175 4.523 4.350 -0.002 0.000 0.286 83 T C -0.595 174.105 174.700 0.001 0.000 1.157 83 T CA -0.260 61.602 62.100 -0.396 0.000 1.090 83 T CB -0.663 67.871 68.868 -0.557 0.000 1.112 83 T HN 0.420 nan 8.240 nan 0.000 0.779 84 S N 0.399 116.181 115.700 0.137 0.000 2.533 84 S HA 0.429 4.897 4.470 -0.002 0.000 0.271 84 S C 1.097 175.535 174.600 -0.270 0.000 1.143 84 S CA -0.770 57.264 58.200 -0.277 0.000 0.891 84 S CB 1.788 64.887 63.200 -0.168 0.000 1.105 84 S HN 0.181 nan 8.310 nan 0.000 0.468 85 S N 1.015 116.173 115.700 -0.903 0.000 2.413 85 S HA -0.223 4.246 4.470 -0.002 0.000 0.237 85 S C 1.480 176.066 174.600 -0.024 0.000 1.044 85 S CA 2.144 60.182 58.200 -0.271 0.000 1.024 85 S CB -0.635 62.391 63.200 -0.289 0.000 0.829 85 S HN 0.787 nan 8.310 nan 0.000 0.475 86 E N -0.740 119.396 120.200 -0.105 0.000 2.051 86 E HA -0.138 4.211 4.350 -0.002 0.000 0.192 86 E C 1.792 178.480 176.600 0.146 0.000 0.991 86 E CA 1.424 57.772 56.400 -0.086 0.000 0.799 86 E CB -0.299 29.094 29.700 -0.510 0.000 0.748 86 E HN 0.744 nan 8.360 nan 0.000 0.449 87 F N 1.448 121.437 119.950 0.066 0.000 2.146 87 F HA -0.170 4.356 4.527 -0.002 0.000 0.298 87 F C 2.065 178.022 175.800 0.263 0.000 1.096 87 F CA 0.863 59.013 58.000 0.249 0.000 1.275 87 F CB -0.237 38.902 39.000 0.232 0.000 1.008 87 F HN -0.232 nan 8.300 nan 0.000 0.480 88 V N 1.038 121.027 119.914 0.125 0.000 2.255 88 V HA -0.327 3.791 4.120 -0.002 0.000 0.247 88 V C 2.283 178.479 176.094 0.169 0.000 1.051 88 V CA 2.432 64.777 62.300 0.075 0.000 1.018 88 V CB -0.958 31.045 31.823 0.300 0.000 0.641 88 V HN 0.366 nan 8.190 nan 0.000 0.445 89 E N 0.577 120.892 120.200 0.193 0.000 2.038 89 E HA -0.233 4.116 4.350 -0.002 0.000 0.195 89 E C 2.351 179.090 176.600 0.231 0.000 1.000 89 E CA 1.430 57.955 56.400 0.208 0.000 0.803 89 E CB -0.473 29.333 29.700 0.177 0.000 0.750 89 E HN 0.590 nan 8.360 nan 0.000 0.448 90 A N 1.012 123.975 122.820 0.240 0.000 1.917 90 A HA -0.230 4.089 4.320 -0.002 0.000 0.219 90 A C 2.029 179.600 177.584 -0.022 0.000 1.182 90 A CA 1.442 53.575 52.037 0.161 0.000 0.633 90 A CB -0.827 18.244 19.000 0.117 0.000 0.819 90 A HN 0.353 nan 8.150 nan 0.000 0.448 91 F N -0.895 118.869 119.950 -0.309 0.000 2.102 91 F HA -0.114 4.411 4.527 -0.002 0.000 0.298 91 F C 1.899 177.549 175.800 -0.252 0.000 1.105 91 F CA 1.836 59.587 58.000 -0.414 0.000 1.239 91 F CB -0.235 38.311 39.000 -0.757 0.000 0.991 91 F HN 0.207 nan 8.300 nan 0.000 0.474 92 F N 0.252 120.220 119.950 0.029 0.000 2.259 92 F HA 0.022 4.547 4.527 -0.003 0.000 0.298 92 F C 2.512 178.346 175.800 0.056 0.000 1.088 92 F CA 0.930 58.966 58.000 0.061 0.000 1.358 92 F CB -1.144 37.937 39.000 0.134 0.000 1.040 92 F HN 0.047 nan 8.300 nan 0.000 0.505 93 A N -0.899 122.028 122.820 0.178 0.000 1.986 93 A HA -0.256 4.063 4.320 -0.002 0.000 0.220 93 A C 2.285 179.924 177.584 0.092 0.000 1.171 93 A CA 2.017 54.140 52.037 0.143 0.000 0.640 93 A CB -1.532 17.612 19.000 0.241 0.000 0.811 93 A HN 0.493 nan 8.150 nan 0.000 0.451 94 C N -1.211 118.060 119.300 -0.048 0.000 2.466 94 C HA -0.068 4.391 4.460 -0.002 0.000 0.278 94 C C 2.916 177.862 174.990 -0.072 0.000 1.288 94 C CA 1.052 59.996 59.018 -0.123 0.000 1.722 94 C CB -0.941 26.628 27.740 -0.286 0.000 2.017 94 C HN 0.622 nan 8.230 nan 0.000 0.488 95 Q N -0.095 119.650 119.800 -0.091 0.000 2.061 95 Q HA -0.177 4.161 4.340 -0.002 0.000 0.204 95 Q C 1.847 177.922 176.000 0.125 0.000 0.984 95 Q CA 1.873 57.688 55.803 0.020 0.000 0.846 95 Q CB -0.768 28.007 28.738 0.062 0.000 0.902 95 Q HN 0.776 nan 8.270 nan 0.000 0.421 96 Y N 0.310 120.638 120.300 0.048 0.000 2.293 96 Y HA -0.050 4.498 4.550 -0.002 0.000 0.291 96 Y C 2.150 178.068 175.900 0.030 0.000 1.137 96 Y CA 1.029 59.160 58.100 0.052 0.000 1.202 96 Y CB -0.328 38.175 38.460 0.072 0.000 0.990 96 Y HN 0.125 nan 8.280 nan 0.000 0.537 97 A N -0.732 122.192 122.820 0.174 0.000 2.251 97 A HA 0.375 4.694 4.320 -0.002 0.000 0.209 97 A C 2.043 179.656 177.584 0.049 0.000 1.187 97 A CA 0.751 52.845 52.037 0.095 0.000 0.823 97 A CB -1.143 17.903 19.000 0.077 0.000 0.846 97 A HN 0.565 nan 8.150 nan 0.000 0.486 98 G N -0.948 107.877 108.800 0.042 0.000 2.166 98 G HA2 -0.252 3.707 3.960 -0.002 0.000 0.260 98 G HA3 -0.252 3.707 3.960 -0.002 0.000 0.260 98 G C 0.143 175.052 174.900 0.014 0.000 0.986 98 G CA 0.639 45.757 45.100 0.029 0.000 0.683 98 G HN 0.482 nan 8.290 nan 0.000 0.527 99 L N -0.097 121.121 121.223 -0.009 0.000 2.399 99 L HA 0.532 4.871 4.340 -0.002 0.000 0.266 99 L C 0.880 177.708 176.870 -0.070 0.000 1.114 99 L CA -1.108 53.711 54.840 -0.035 0.000 0.804 99 L CB 1.504 43.532 42.059 -0.050 0.000 1.146 99 L HN -0.096 nan 8.230 nan 0.000 0.451 100 V N 2.438 122.313 119.914 -0.066 0.000 2.372 100 V HA 0.262 4.380 4.120 -0.002 0.000 0.261 100 V C 0.682 176.723 176.094 -0.089 0.000 1.055 100 V CA -0.511 61.739 62.300 -0.083 0.000 0.930 100 V CB 0.873 32.652 31.823 -0.074 0.000 1.031 100 V HN 0.843 nan 8.190 nan 0.000 0.479 101 A N 5.403 128.148 122.820 -0.124 0.000 2.440 101 A HA 0.565 4.884 4.320 -0.002 0.000 0.251 101 A C -0.160 177.493 177.584 0.115 0.000 1.089 101 A CA -0.136 51.851 52.037 -0.084 0.000 0.779 101 A CB 0.445 19.220 19.000 -0.375 0.000 1.022 101 A HN 0.750 nan 8.150 nan 0.000 0.492 102 V N 5.395 125.394 119.914 0.142 0.000 2.380 102 V HA 0.255 4.374 4.120 -0.002 0.000 0.272 102 V C -2.639 173.595 176.094 0.232 0.000 1.011 102 V CA -1.265 61.154 62.300 0.198 0.000 0.826 102 V CB 1.274 33.156 31.823 0.098 0.000 1.040 102 V HN 0.752 nan 8.190 nan 0.000 0.441 103 P HA 0.362 nan 4.420 nan 0.000 0.276 103 P C -0.633 176.789 177.300 0.203 0.000 1.243 103 P CA 0.149 63.435 63.100 0.310 0.000 0.768 103 P CB 0.747 32.635 31.700 0.313 0.000 0.856 104 L N 2.097 123.401 121.223 0.135 0.000 2.342 104 L HA 0.734 5.073 4.340 -0.002 0.000 0.271 104 L C 0.483 177.349 176.870 -0.006 0.000 1.008 104 L CA -1.282 53.581 54.840 0.038 0.000 0.818 104 L CB 1.886 43.930 42.059 -0.024 0.000 1.296 104 L HN 0.282 nan 8.230 nan 0.000 0.427 105 A N 2.741 125.470 122.820 -0.151 0.000 2.354 105 A HA 0.532 4.850 4.320 -0.002 0.000 0.269 105 A C 0.182 177.583 177.584 -0.305 0.000 1.109 105 A CA -0.593 51.091 52.037 -0.588 0.000 0.800 105 A CB 0.296 18.642 19.000 -1.090 0.000 1.045 105 A HN 0.705 nan 8.150 nan 0.000 0.489 106 I N -0.230 120.002 120.570 -0.562 0.000 3.543 106 I HA 0.244 4.413 4.170 -0.002 0.000 0.262 106 I C -2.291 173.345 176.117 -0.802 0.000 1.301 106 I CA -1.461 59.322 61.300 -0.863 0.000 1.242 106 I CB -0.522 36.841 38.000 -1.062 0.000 1.402 106 I HN 0.299 nan 8.210 nan 0.000 0.671 110 V N 0.559 120.504 119.914 0.051 0.000 2.697 110 V HA 0.636 4.754 4.120 -0.002 0.000 0.300 110 V C 0.846 176.959 176.094 0.033 0.000 1.115 110 V CA 0.821 63.143 62.300 0.037 0.000 0.912 110 V CB 0.915 32.754 31.823 0.027 0.000 1.024 110 V HN 2.552 nan 8.190 nan 0.000 0.431 111 G N 3.963 112.780 108.800 0.028 0.000 2.339 111 G HA2 -0.200 3.759 3.960 -0.002 0.000 0.209 111 G HA3 -0.200 3.759 3.960 -0.002 0.000 0.209 111 G C 0.552 175.467 174.900 0.025 0.000 1.015 111 G CA 0.430 45.543 45.100 0.021 0.000 0.635 111 G HN 0.604 nan 8.290 nan 0.000 0.499 112 Q N 0.221 120.044 119.800 0.038 0.000 2.360 112 Q HA 0.273 4.612 4.340 -0.002 0.000 0.202 112 Q C 2.569 178.617 176.000 0.080 0.000 0.915 112 Q CA 0.641 56.475 55.803 0.052 0.000 0.943 112 Q CB 0.200 28.976 28.738 0.063 0.000 1.064 112 Q HN 0.661 nan 8.270 nan 0.000 0.511 113 R N 1.019 121.558 120.500 0.065 0.000 2.235 113 R HA -0.097 4.242 4.340 -0.002 0.000 0.213 113 R C 1.337 177.723 176.300 0.144 0.000 1.059 113 R CA 1.257 57.406 56.100 0.082 0.000 0.997 113 R CB -0.509 29.813 30.300 0.036 0.000 0.884 113 R HN 0.197 nan 8.270 nan 0.000 0.462 114 D N -0.859 119.601 120.400 0.101 0.000 2.216 114 D HA -0.076 4.563 4.640 -0.002 0.000 0.208 114 D C 2.081 178.433 176.300 0.085 0.000 0.960 114 D CA 1.559 55.611 54.000 0.087 0.000 0.861 114 D CB 0.160 40.988 40.800 0.046 0.000 0.985 114 D HN 0.414 nan 8.370 nan 0.000 0.493 115 S N -0.195 115.554 115.700 0.082 0.000 2.374 115 S HA -0.212 4.257 4.470 -0.002 0.000 0.227 115 S C 1.900 176.552 174.600 0.086 0.000 1.037 115 S CA 1.329 59.568 58.200 0.064 0.000 1.024 115 S CB -0.494 62.743 63.200 0.062 0.000 0.861 115 S HN 0.418 nan 8.310 nan 0.000 0.456 116 W N 1.719 122.986 121.300 -0.055 0.000 2.333 116 W HA -0.091 4.568 4.660 -0.001 0.000 0.316 116 W C 2.714 179.189 176.519 -0.074 0.000 1.215 116 W CA 1.853 59.148 57.345 -0.082 0.000 1.278 116 W CB -0.874 28.528 29.460 -0.098 0.000 1.154 116 W HN 0.289 nan 8.180 nan 0.000 0.486 117 S N 0.218 116.016 115.700 0.164 0.000 2.356 117 S HA -0.223 4.246 4.470 -0.002 0.000 0.223 117 S C 2.009 176.540 174.600 -0.115 0.000 1.032 117 S CA 1.622 59.828 58.200 0.010 0.000 1.005 117 S CB -1.149 62.124 63.200 0.121 0.000 0.867 117 S HN 0.405 nan 8.310 nan 0.000 0.449 118 A N 1.744 124.523 122.820 -0.069 0.000 1.884 118 A HA -0.255 4.064 4.320 -0.002 0.000 0.219 118 A C 2.052 179.537 177.584 -0.164 0.000 1.197 118 A CA 2.022 54.002 52.037 -0.095 0.000 0.637 118 A CB -0.656 18.306 19.000 -0.064 0.000 0.827 118 A HN 0.467 nan 8.150 nan 0.000 0.450 119 K N -1.139 119.136 120.400 -0.207 0.000 2.020 119 K HA -0.183 4.135 4.320 -0.002 0.000 0.212 119 K C 1.971 178.343 176.600 -0.380 0.000 1.050 119 K CA 1.625 57.746 56.287 -0.275 0.000 0.929 119 K CB -0.446 31.866 32.500 -0.312 0.000 0.714 119 K HN 0.414 nan 8.250 nan 0.000 0.443 120 L N 1.836 122.720 121.223 -0.565 0.000 2.079 120 L HA -0.232 4.107 4.340 -0.002 0.000 0.210 120 L C 2.045 178.698 176.870 -0.361 0.000 1.081 120 L CA 1.748 56.217 54.840 -0.619 0.000 0.752 120 L CB -0.417 41.099 42.059 -0.905 0.000 0.896 120 L HN 0.216 nan 8.230 nan 0.000 0.433 121 Q N -0.632 119.014 119.800 -0.256 0.000 2.167 121 Q HA -0.068 4.270 4.340 -0.002 0.000 0.202 121 Q C 2.099 178.007 176.000 -0.154 0.000 0.970 121 Q CA 1.309 57.014 55.803 -0.163 0.000 0.855 121 Q CB -0.513 28.161 28.738 -0.106 0.000 0.911 121 Q HN 0.690 nan 8.270 nan 0.000 0.438 122 G N 1.649 110.345 108.800 -0.174 0.000 2.403 122 G HA2 -0.174 3.784 3.960 -0.002 0.000 0.216 122 G HA3 -0.174 3.784 3.960 -0.002 0.000 0.216 122 G C 1.431 176.231 174.900 -0.168 0.000 1.154 122 G CA 0.063 45.077 45.100 -0.143 0.000 0.784 122 G HN 0.211 nan 8.290 nan 0.000 0.538 123 L N 0.269 121.327 121.223 -0.275 0.000 2.042 123 L HA -0.013 4.326 4.340 -0.002 0.000 0.210 123 L C 2.577 179.243 176.870 -0.340 0.000 1.076 123 L CA 1.609 56.179 54.840 -0.449 0.000 0.749 123 L CB -0.811 40.926 42.059 -0.536 0.000 0.893 123 L HN 0.099 nan 8.230 nan 0.000 0.432 124 L N 0.335 121.420 121.223 -0.229 0.000 2.093 124 L HA -0.032 4.307 4.340 -0.002 0.000 0.208 124 L C 2.877 179.708 176.870 -0.065 0.000 1.085 124 L CA 1.808 56.565 54.840 -0.139 0.000 0.755 124 L CB -1.736 40.256 42.059 -0.112 0.000 0.904 124 L HN 0.301 nan 8.230 nan 0.000 0.435 125 A N -1.894 120.892 122.820 -0.056 0.000 1.972 125 A HA -0.189 4.129 4.320 -0.002 0.000 0.219 125 A C 2.629 180.245 177.584 0.053 0.000 1.169 125 A CA 1.815 53.849 52.037 -0.005 0.000 0.635 125 A CB -0.622 18.367 19.000 -0.018 0.000 0.810 125 A HN 0.392 nan 8.150 nan 0.000 0.446 126 S N -1.181 114.557 115.700 0.063 0.000 2.414 126 S HA -0.114 4.355 4.470 -0.002 0.000 0.227 126 S C 1.645 176.456 174.600 0.352 0.000 1.022 126 S CA 1.495 59.821 58.200 0.210 0.000 0.958 126 S CB -0.423 62.952 63.200 0.292 0.000 0.797 126 S HN 1.046 nan 8.310 nan 0.000 0.493 127 C N -0.212 119.200 119.300 0.187 0.000 3.642 127 C HA 0.564 5.023 4.460 -0.002 0.000 0.305 127 C C 0.284 175.320 174.990 0.076 0.000 1.492 127 C CA -0.505 58.587 59.018 0.122 0.000 1.809 127 C CB -1.134 26.491 27.740 -0.190 0.000 2.639 127 C HN 0.425 nan 8.230 nan 0.000 0.672 128 Q N 0.976 120.816 119.800 0.067 0.000 2.437 128 Q HA -0.136 4.203 4.340 -0.002 0.000 0.354 128 Q C -2.395 173.617 176.000 0.021 0.000 1.402 128 Q CA 0.861 56.693 55.803 0.048 0.000 1.020 128 Q CB -1.731 27.061 28.738 0.090 0.000 1.220 128 Q HN 0.551 nan 8.270 nan 0.000 0.368 129 P HA 0.104 nan 4.420 nan 0.000 0.269 129 P C 0.111 177.422 177.300 0.019 0.000 1.209 129 P CA 0.321 63.411 63.100 -0.017 0.000 0.776 129 P CB 0.926 32.603 31.700 -0.039 0.000 0.876 130 A N 1.284 124.124 122.820 0.035 0.000 2.267 130 A HA 0.573 4.892 4.320 -0.002 0.000 0.213 130 A C 0.717 178.391 177.584 0.150 0.000 1.192 130 A CA 0.917 53.006 52.037 0.087 0.000 0.851 130 A CB -0.287 18.763 19.000 0.083 0.000 0.881 130 A HN 0.651 nan 8.150 nan 0.000 0.494 131 A N -0.846 122.018 122.820 0.074 0.000 2.608 131 A HA 0.660 4.978 4.320 -0.002 0.000 0.292 131 A C -1.362 176.226 177.584 0.007 0.000 1.066 131 A CA -0.217 51.865 52.037 0.074 0.000 0.676 131 A CB 0.612 19.610 19.000 -0.004 0.000 1.277 131 A HN 0.863 nan 8.150 nan 0.000 0.413 132 I N 1.197 121.771 120.570 0.008 0.000 2.586 132 I HA 0.610 4.779 4.170 -0.002 0.000 0.288 132 I C -1.769 174.317 176.117 -0.053 0.000 1.147 132 I CA -0.823 60.467 61.300 -0.018 0.000 1.047 132 I CB 1.116 39.127 38.000 0.018 0.000 1.244 132 I HN 0.596 nan 8.210 nan 0.000 0.429 133 I N 6.788 127.282 120.570 -0.126 0.000 2.336 133 I HA 0.427 4.595 4.170 -0.002 0.000 0.292 133 I C 0.051 176.098 176.117 -0.116 0.000 0.991 133 I CA -0.245 60.910 61.300 -0.242 0.000 1.227 133 I CB 1.852 39.543 38.000 -0.515 0.000 1.366 133 I HN 0.553 nan 8.210 nan 0.000 0.466 134 T N 3.697 118.211 114.554 -0.067 0.000 2.883 134 T HA 0.635 4.984 4.350 -0.002 0.000 0.296 134 T C -0.163 174.708 174.700 0.285 0.000 1.117 134 T CA -0.499 61.694 62.100 0.155 0.000 1.006 134 T CB 1.739 70.697 68.868 0.150 0.000 1.191 134 T HN 0.720 nan 8.240 nan 0.000 0.508 135 G N 0.948 109.971 108.800 0.371 0.000 2.507 135 G HA2 0.299 4.258 3.960 -0.002 0.000 0.271 135 G HA3 0.299 4.258 3.960 -0.002 0.000 0.271 135 G C 0.652 175.583 174.900 0.052 0.000 1.189 135 G CA -0.373 44.866 45.100 0.232 0.000 0.859 135 G HN 0.802 nan 8.290 nan 0.000 0.542 136 D N -0.185 120.182 120.400 -0.055 0.000 2.133 136 D HA -0.181 4.458 4.640 -0.002 0.000 0.195 136 D C 2.005 178.193 176.300 -0.187 0.000 0.997 136 D CA 1.575 55.497 54.000 -0.128 0.000 0.840 136 D CB -0.018 40.714 40.800 -0.114 0.000 0.947 136 D HN 0.778 nan 8.370 nan 0.000 0.452 137 E N -0.238 119.773 120.200 -0.314 0.000 2.114 137 E HA -0.208 4.141 4.350 -0.002 0.000 0.199 137 E C 1.483 177.673 176.600 -0.683 0.000 1.008 137 E CA 1.436 57.462 56.400 -0.623 0.000 0.810 137 E CB -0.188 28.910 29.700 -1.003 0.000 0.739 137 E HN 0.423 nan 8.360 nan 0.000 0.456 138 W N -0.265 120.967 121.300 -0.113 0.000 3.278 138 W HA 0.180 4.838 4.660 -0.002 0.000 0.308 138 W C 1.594 178.054 176.519 -0.098 0.000 1.253 138 W CA -0.896 56.359 57.345 -0.151 0.000 1.759 138 W CB 0.044 29.394 29.460 -0.185 0.000 1.093 138 W HN 0.148 nan 8.180 nan 0.000 0.648 139 L N 2.449 123.698 121.223 0.043 0.000 1.990 139 L HA -0.127 4.211 4.340 -0.002 0.000 0.213 139 L C -0.501 176.393 176.870 0.040 0.000 1.072 139 L CA 2.337 57.179 54.840 0.002 0.000 0.755 139 L CB -1.886 40.108 42.059 -0.109 0.000 0.889 139 L HN -0.215 nan 8.230 nan 0.000 0.432 140 P HA -0.212 nan 4.420 nan 0.000 0.213 140 P C 1.993 179.333 177.300 0.066 0.000 1.176 140 P CA 1.283 64.405 63.100 0.037 0.000 0.919 140 P CB -0.198 31.502 31.700 -0.001 0.000 0.791 141 L N -0.464 120.800 121.223 0.069 0.000 2.034 141 L HA -0.216 4.123 4.340 -0.002 0.000 0.217 141 L C 2.316 179.299 176.870 0.189 0.000 1.077 141 L CA 1.943 56.847 54.840 0.107 0.000 0.769 141 L CB -1.382 40.715 42.059 0.063 0.000 0.890 141 L HN -0.176 nan 8.230 nan 0.000 0.435 142 V N -0.187 119.851 119.914 0.206 0.000 2.233 142 V HA -0.366 3.752 4.120 -0.002 0.000 0.247 142 V C 2.360 178.558 176.094 0.174 0.000 1.050 142 V CA 2.257 64.701 62.300 0.239 0.000 1.010 142 V CB -0.862 31.078 31.823 0.196 0.000 0.637 142 V HN 0.553 nan 8.190 nan 0.000 0.444 143 N N 0.322 119.107 118.700 0.142 0.000 2.104 143 N HA -0.182 4.557 4.740 -0.002 0.000 0.190 143 N C 1.857 177.446 175.510 0.132 0.000 1.024 143 N CA 1.638 54.773 53.050 0.142 0.000 0.853 143 N CB -0.227 38.346 38.487 0.143 0.000 1.008 143 N HN 0.522 nan 8.380 nan 0.000 0.424 144 A N 0.668 123.541 122.820 0.088 0.000 2.067 144 A HA 0.099 4.418 4.320 -0.002 0.000 0.219 144 A C 2.173 179.780 177.584 0.038 0.000 1.158 144 A CA 1.585 53.627 52.037 0.008 0.000 0.661 144 A CB -0.192 18.805 19.000 -0.004 0.000 0.801 144 A HN 0.367 nan 8.150 nan 0.000 0.452 145 A N -0.848 122.043 122.820 0.117 0.000 2.014 145 A HA 0.140 4.459 4.320 -0.002 0.000 0.210 145 A C 2.029 179.675 177.584 0.104 0.000 1.188 145 A CA 1.486 53.593 52.037 0.117 0.000 0.731 145 A CB -0.698 18.400 19.000 0.164 0.000 0.858 145 A HN 0.652 nan 8.150 nan 0.000 0.464 146 T N -3.459 111.165 114.554 0.116 0.000 3.252 146 T HA 0.036 4.384 4.350 -0.002 0.000 0.250 146 T C 1.299 176.073 174.700 0.123 0.000 1.123 146 T CA 0.741 62.895 62.100 0.089 0.000 1.006 146 T CB -0.612 68.303 68.868 0.078 0.000 0.992 146 T HN 0.442 nan 8.240 nan 0.000 0.547 147 H N 2.613 121.701 119.070 0.031 0.000 2.400 147 H HA -0.129 4.426 4.556 -0.002 0.000 0.295 147 H C 0.638 175.974 175.328 0.012 0.000 1.118 147 H CA 2.057 58.120 56.048 0.025 0.000 1.256 147 H CB -0.248 29.529 29.762 0.026 0.000 1.365 147 H HN 0.548 nan 8.280 nan 0.000 0.502 148 D N -0.993 119.427 120.400 0.034 0.000 2.501 148 D HA 0.132 4.771 4.640 -0.002 0.000 0.224 148 D C -0.490 175.797 176.300 -0.022 0.000 1.202 148 D CA -0.147 53.833 54.000 -0.033 0.000 0.829 148 D CB 0.308 41.102 40.800 -0.011 0.000 1.023 148 D HN 0.254 nan 8.370 nan 0.000 0.499 149 N N 1.440 120.135 118.700 -0.009 0.000 2.707 149 N HA 0.138 4.877 4.740 -0.002 0.000 0.235 149 N C -2.012 173.486 175.510 -0.020 0.000 1.028 149 N CA -1.166 51.876 53.050 -0.013 0.000 0.906 149 N CB 2.012 40.495 38.487 -0.006 0.000 1.131 149 N HN -0.028 nan 8.380 nan 0.000 0.509 150 P HA -0.104 nan 4.420 nan 0.000 0.218 150 P C 1.140 178.402 177.300 -0.063 0.000 1.152 150 P CA 0.980 64.052 63.100 -0.048 0.000 0.826 150 P CB 0.281 31.952 31.700 -0.049 0.000 0.790 151 E N 0.199 120.371 120.200 -0.048 0.000 2.505 151 E HA -0.059 4.289 4.350 -0.002 0.000 0.197 151 E C -0.089 176.482 176.600 -0.048 0.000 1.111 151 E CA 0.156 56.526 56.400 -0.050 0.000 0.887 151 E CB -0.932 28.759 29.700 -0.015 0.000 0.913 151 E HN 0.200 nan 8.360 nan 0.000 0.517 152 L N 1.819 123.011 121.223 -0.052 0.000 2.298 152 L HA 0.336 4.674 4.340 -0.002 0.000 0.284 152 L C -1.114 175.744 176.870 -0.019 0.000 1.013 152 L CA -1.000 53.838 54.840 -0.003 0.000 0.824 152 L CB 1.070 43.140 42.059 0.018 0.000 1.221 152 L HN -0.066 nan 8.230 nan 0.000 0.418 153 H N 3.192 122.286 119.070 0.040 0.000 2.764 153 H HA 0.388 4.942 4.556 -0.002 0.000 0.341 153 H C -0.495 174.878 175.328 0.074 0.000 1.072 153 H CA 0.210 56.297 56.048 0.065 0.000 1.444 153 H CB 0.913 30.710 29.762 0.059 0.000 1.458 153 H HN 0.376 nan 8.280 nan 0.000 0.572 154 V N 5.579 125.632 119.914 0.232 0.000 2.350 154 V HA 0.183 4.302 4.120 -0.002 0.000 0.285 154 V C -0.816 175.433 176.094 0.259 0.000 1.014 154 V CA -0.635 61.780 62.300 0.192 0.000 0.831 154 V CB 0.773 32.702 31.823 0.176 0.000 1.000 154 V HN 0.419 nan 8.190 nan 0.000 0.433 155 L N 4.877 126.185 121.223 0.141 0.000 2.333 155 L HA 0.574 4.912 4.340 -0.002 0.000 0.280 155 L C 0.645 177.426 176.870 -0.150 0.000 1.004 155 L CA 0.179 55.111 54.840 0.154 0.000 0.820 155 L CB 2.022 44.174 42.059 0.155 0.000 1.247 155 L HN 0.742 nan 8.230 nan 0.000 0.416 156 S N 0.611 115.972 115.700 -0.565 0.000 2.589 156 S HA 0.110 4.579 4.470 -0.002 0.000 0.265 156 S C 1.107 175.601 174.600 -0.176 0.000 1.342 156 S CA 0.027 57.874 58.200 -0.588 0.000 1.005 156 S CB 0.372 62.859 63.200 -1.188 0.000 0.909 156 S HN 0.686 nan 8.310 nan 0.000 0.555 157 H N 1.052 120.093 119.070 -0.048 0.000 2.421 157 H HA 0.070 4.624 4.556 -0.002 0.000 0.298 157 H C 2.288 177.691 175.328 0.125 0.000 1.087 157 H CA 2.002 58.139 56.048 0.150 0.000 1.330 157 H CB -0.495 29.344 29.762 0.128 0.000 1.388 157 H HN 0.766 nan 8.280 nan 0.000 0.526 158 A N 0.532 123.430 122.820 0.129 0.000 1.855 158 A HA -0.172 4.147 4.320 -0.002 0.000 0.215 158 A C 1.633 179.384 177.584 0.278 0.000 1.191 158 A CA 1.420 53.547 52.037 0.151 0.000 0.613 158 A CB -0.891 18.192 19.000 0.138 0.000 0.829 158 A HN 0.471 nan 8.150 nan 0.000 0.442 159 W N -0.695 120.672 121.300 0.112 0.000 2.338 159 W HA -0.169 4.490 4.660 -0.002 0.000 0.304 159 W C 2.068 178.668 176.519 0.135 0.000 1.212 159 W CA 0.540 57.946 57.345 0.102 0.000 1.264 159 W CB -1.849 27.674 29.460 0.104 0.000 1.142 159 W HN 0.455 nan 8.180 nan 0.000 0.512 160 F N 2.198 122.268 119.950 0.200 0.000 2.069 160 F HA -0.207 4.318 4.527 -0.003 0.000 0.298 160 F C 2.040 177.891 175.800 0.086 0.000 1.113 160 F CA 1.962 60.016 58.000 0.091 0.000 1.214 160 F CB -0.756 38.235 39.000 -0.015 0.000 0.978 160 F HN -0.175 nan 8.300 nan 0.000 0.474 161 K N 0.113 120.354 120.400 -0.264 0.000 2.283 161 K HA 0.008 4.326 4.320 -0.002 0.000 0.202 161 K C 1.983 178.493 176.600 -0.149 0.000 1.048 161 K CA 0.888 56.957 56.287 -0.363 0.000 0.948 161 K CB -0.421 31.973 32.500 -0.176 0.000 0.742 161 K HN 0.367 nan 8.250 nan 0.000 0.458 162 A N 0.836 123.653 122.820 -0.005 0.000 2.218 162 A HA 0.056 4.375 4.320 -0.002 0.000 0.209 162 A C 0.680 178.282 177.584 0.030 0.000 1.168 162 A CA 0.054 52.114 52.037 0.038 0.000 0.804 162 A CB -0.009 19.058 19.000 0.112 0.000 0.834 162 A HN 0.022 nan 8.150 nan 0.000 0.482 163 L N 0.247 121.488 121.223 0.031 0.000 2.476 163 L HA 0.306 4.644 4.340 -0.002 0.000 0.264 163 L C -2.254 174.622 176.870 0.010 0.000 1.224 163 L CA -1.616 53.251 54.840 0.044 0.000 0.821 163 L CB -0.208 41.909 42.059 0.097 0.000 1.101 163 L HN 0.031 nan 8.230 nan 0.000 0.488 164 P HA 0.194 nan 4.420 nan 0.000 0.290 164 P C -1.168 176.139 177.300 0.013 0.000 1.276 164 P CA -0.727 62.379 63.100 0.010 0.000 0.808 164 P CB 0.554 32.261 31.700 0.013 0.000 0.966 165 E N 1.839 122.042 120.200 0.005 0.000 2.603 165 E HA 0.077 4.426 4.350 -0.002 0.000 0.242 165 E C 0.289 176.900 176.600 0.017 0.000 1.083 165 E CA 0.275 56.682 56.400 0.010 0.000 0.950 165 E CB -0.073 29.629 29.700 0.005 0.000 0.952 165 E HN 0.433 nan 8.360 nan 0.000 0.498 166 A N 4.475 127.310 122.820 0.025 0.000 2.537 166 A HA -0.088 4.231 4.320 -0.002 0.000 0.260 166 A C 0.597 178.194 177.584 0.022 0.000 1.082 166 A CA -0.027 52.025 52.037 0.024 0.000 0.765 166 A CB 0.007 19.024 19.000 0.027 0.000 1.019 166 A HN 0.505 nan 8.150 nan 0.000 0.507 167 D N 3.074 123.484 120.400 0.018 0.000 2.489 167 D HA 0.252 4.890 4.640 -0.002 0.000 0.237 167 D C -0.724 175.587 176.300 0.018 0.000 1.212 167 D CA 0.650 54.660 54.000 0.016 0.000 1.058 167 D CB 0.128 40.935 40.800 0.013 0.000 1.098 167 D HN 0.277 nan 8.370 nan 0.000 0.509 168 V N 1.823 121.750 119.914 0.022 0.000 3.147 168 V HA 0.627 4.746 4.120 -0.002 0.000 0.306 168 V C -1.203 174.907 176.094 0.026 0.000 1.209 168 V CA -0.800 61.514 62.300 0.023 0.000 1.023 168 V CB 2.207 34.045 31.823 0.024 0.000 1.059 168 V HN 0.413 nan 8.190 nan 0.000 0.435 169 A N 4.882 127.716 122.820 0.023 0.000 2.350 169 A HA 0.617 4.936 4.320 -0.002 0.000 0.293 169 A C -0.531 177.071 177.584 0.029 0.000 1.231 169 A CA -0.238 51.814 52.037 0.025 0.000 0.883 169 A CB -0.120 18.891 19.000 0.018 0.000 1.133 169 A HN 0.846 nan 8.150 nan 0.000 0.533 170 L N 3.698 124.946 121.223 0.042 0.000 2.562 170 L HA 0.031 4.369 4.340 -0.002 0.000 0.271 170 L C 1.106 177.991 176.870 0.025 0.000 1.167 170 L CA 0.851 55.721 54.840 0.050 0.000 0.917 170 L CB 0.177 42.292 42.059 0.094 0.000 1.187 170 L HN 0.767 nan 8.230 nan 0.000 0.482 171 Q N 3.575 123.382 119.800 0.012 0.000 2.304 171 Q HA 0.259 4.598 4.340 -0.002 0.000 0.260 171 Q C -0.131 175.844 176.000 -0.041 0.000 0.965 171 Q CA -0.816 54.981 55.803 -0.010 0.000 0.898 171 Q CB 0.846 29.580 28.738 -0.006 0.000 1.196 171 Q HN 0.280 nan 8.270 nan 0.000 0.402 172 R N 3.159 123.623 120.500 -0.059 0.000 2.442 172 R HA 0.267 4.606 4.340 -0.002 0.000 0.291 172 R C -2.212 174.013 176.300 -0.124 0.000 1.069 172 R CA -1.117 54.917 56.100 -0.109 0.000 1.022 172 R CB 0.072 30.317 30.300 -0.091 0.000 0.976 172 R HN 0.520 nan 8.270 nan 0.000 0.443 173 P HA 0.096 nan 4.420 nan 0.000 0.274 173 P C -1.097 176.070 177.300 -0.221 0.000 1.231 173 P CA -0.575 62.396 63.100 -0.214 0.000 0.790 173 P CB 0.991 32.465 31.700 -0.377 0.000 0.951 174 V N 1.293 121.121 119.914 -0.143 0.000 2.881 174 V HA 0.440 4.558 4.120 -0.002 0.000 0.316 174 V C -1.925 174.132 176.094 -0.061 0.000 1.070 174 V CA -2.395 59.846 62.300 -0.098 0.000 0.976 174 V CB 1.464 33.260 31.823 -0.045 0.000 1.038 174 V HN 0.304 nan 8.190 nan 0.000 0.446 175 P HA -0.142 nan 4.420 nan 0.000 0.218 175 P C 1.002 178.347 177.300 0.074 0.000 1.154 175 P CA 2.243 65.365 63.100 0.037 0.000 0.872 175 P CB -0.103 31.606 31.700 0.016 0.000 0.790 176 N N -1.637 117.087 118.700 0.040 0.000 2.398 176 N HA -0.009 4.730 4.740 -0.002 0.000 0.188 176 N C -0.124 175.414 175.510 0.045 0.000 1.122 176 N CA -0.273 52.796 53.050 0.032 0.000 0.866 176 N CB -0.138 38.354 38.487 0.008 0.000 0.970 176 N HN 0.148 nan 8.380 nan 0.000 0.462 177 D N 0.839 121.295 120.400 0.093 0.000 2.382 177 D HA 0.099 4.738 4.640 -0.002 0.000 0.240 177 D C 0.402 176.744 176.300 0.070 0.000 1.146 177 D CA 0.158 54.223 54.000 0.109 0.000 0.897 177 D CB 1.162 42.065 40.800 0.172 0.000 1.197 177 D HN 0.048 nan 8.370 nan 0.000 0.432 178 I N 1.670 122.247 120.570 0.011 0.000 2.471 178 I HA 0.081 4.249 4.170 -0.002 0.000 0.286 178 I C 1.221 177.243 176.117 -0.160 0.000 1.079 178 I CA -0.207 61.048 61.300 -0.076 0.000 1.398 178 I CB 1.338 39.320 38.000 -0.030 0.000 1.403 178 I HN 0.402 nan 8.210 nan 0.000 0.530 179 A N 7.298 129.920 122.820 -0.330 0.000 1.924 179 A HA 0.120 4.438 4.320 -0.002 0.000 0.211 179 A C 0.339 177.843 177.584 -0.132 0.000 1.198 179 A CA 0.974 52.766 52.037 -0.409 0.000 0.657 179 A CB 0.176 18.845 19.000 -0.552 0.000 0.852 179 A HN 0.791 nan 8.150 nan 0.000 0.454 180 Y N -3.770 116.435 120.300 -0.160 0.000 2.741 180 Y HA 0.661 5.210 4.550 -0.002 0.000 0.339 180 Y C -1.657 174.225 175.900 -0.029 0.000 1.226 180 Y CA -1.733 56.323 58.100 -0.073 0.000 1.072 180 Y CB 0.514 39.005 38.460 0.052 0.000 1.331 180 Y HN -0.025 nan 8.280 nan 0.000 0.453 181 L N 2.595 123.930 121.223 0.187 0.000 2.362 181 L HA 0.548 4.886 4.340 -0.002 0.000 0.275 181 L C -1.015 176.016 176.870 0.270 0.000 0.998 181 L CA -0.996 53.882 54.840 0.062 0.000 0.820 181 L CB 2.061 44.106 42.059 -0.023 0.000 1.270 181 L HN 0.707 nan 8.230 nan 0.000 0.415 182 Q N 1.382 121.265 119.800 0.139 0.000 2.372 182 Q HA 0.244 4.583 4.340 -0.002 0.000 0.259 182 Q C -0.811 175.229 176.000 0.067 0.000 0.993 182 Q CA -0.006 55.931 55.803 0.223 0.000 0.854 182 Q CB 0.979 29.878 28.738 0.268 0.000 1.231 182 Q HN 0.451 nan 8.270 nan 0.000 0.462 183 Y N 1.217 121.608 120.300 0.152 0.000 2.457 183 Y HA 0.027 4.576 4.550 -0.002 0.000 0.263 183 Y C 1.939 177.903 175.900 0.107 0.000 1.164 183 Y CA 0.877 59.043 58.100 0.110 0.000 1.274 183 Y CB 0.643 39.138 38.460 0.058 0.000 1.097 183 Y HN 0.783 nan 8.280 nan 0.000 0.523 184 T N -3.923 110.778 114.554 0.245 0.000 2.918 184 T HA -0.177 4.171 4.350 -0.002 0.000 0.271 184 T C 1.801 176.588 174.700 0.145 0.000 1.104 184 T CA 1.622 63.846 62.100 0.206 0.000 1.114 184 T CB -0.393 68.599 68.868 0.208 0.000 0.855 184 T HN 0.156 nan 8.240 nan 0.000 0.518 185 S N 0.716 116.492 115.700 0.127 0.000 2.561 185 S HA 0.349 4.818 4.470 -0.002 0.000 0.225 185 S C 1.154 175.775 174.600 0.034 0.000 0.977 185 S CA 0.116 58.370 58.200 0.091 0.000 0.926 185 S CB -0.141 63.150 63.200 0.152 0.000 0.769 185 S HN 0.885 nan 8.310 nan 0.000 0.533 186 G N 1.158 110.001 108.800 0.071 0.000 2.471 186 G HA2 0.548 4.507 3.960 -0.002 0.000 0.332 186 G HA3 0.548 4.507 3.960 -0.002 0.000 0.332 186 G C -0.307 174.642 174.900 0.081 0.000 1.176 186 G CA -0.623 44.516 45.100 0.065 0.000 0.949 186 G HN 0.313 nan 8.290 nan 0.000 0.488 187 S N -0.911 114.845 115.700 0.092 0.000 2.681 187 S HA 0.336 4.805 4.470 -0.002 0.000 0.270 187 S C 1.420 176.040 174.600 0.034 0.000 1.209 187 S CA 0.222 58.467 58.200 0.076 0.000 0.988 187 S CB 1.408 64.675 63.200 0.112 0.000 1.006 187 S HN 0.671 nan 8.310 nan 0.000 0.558 188 T N -0.664 113.887 114.554 -0.006 0.000 2.962 188 T HA -0.073 4.275 4.350 -0.002 0.000 0.270 188 T C 1.796 176.429 174.700 -0.111 0.000 1.088 188 T CA 1.250 63.314 62.100 -0.060 0.000 1.127 188 T CB -0.376 68.455 68.868 -0.062 0.000 0.883 188 T HN 0.549 nan 8.240 nan 0.000 0.493 189 R N -0.467 119.953 120.500 -0.134 0.000 2.112 189 R HA 0.274 4.612 4.340 -0.002 0.000 0.216 189 R C -0.242 175.710 176.300 -0.580 0.000 1.080 189 R CA 0.827 56.703 56.100 -0.372 0.000 0.996 189 R CB -0.068 29.983 30.300 -0.415 0.000 0.902 189 R HN 0.405 nan 8.270 nan 0.000 0.449 190 F N 1.448 121.382 119.950 -0.025 0.000 2.531 190 F HA 0.427 4.953 4.527 -0.002 0.000 0.333 190 F C -2.172 173.616 175.800 -0.020 0.000 1.292 190 F CA -2.876 55.107 58.000 -0.028 0.000 1.184 190 F CB 1.351 40.323 39.000 -0.046 0.000 1.426 190 F HN -0.148 nan 8.300 nan 0.000 0.559 191 P HA 0.143 nan 4.420 nan 0.000 0.266 191 P C -0.307 177.116 177.300 0.206 0.000 1.215 191 P CA 0.130 63.334 63.100 0.174 0.000 0.763 191 P CB 0.552 32.332 31.700 0.134 0.000 0.806 192 R N 2.310 122.875 120.500 0.107 0.000 2.514 192 R HA 0.654 4.992 4.340 -0.002 0.000 0.301 192 R C 0.237 176.384 176.300 -0.255 0.000 0.962 192 R CA -0.725 55.304 56.100 -0.119 0.000 0.882 192 R CB 2.088 32.059 30.300 -0.548 0.000 1.143 192 R HN 0.505 nan 8.270 nan 0.000 0.452 193 G N 1.816 110.421 108.800 -0.325 0.000 2.437 193 G HA2 0.358 4.316 3.960 -0.002 0.000 0.315 193 G HA3 0.358 4.316 3.960 -0.002 0.000 0.315 193 G C -0.422 174.417 174.900 -0.102 0.000 1.210 193 G CA -0.393 44.234 45.100 -0.788 0.000 0.943 193 G HN 0.333 nan 8.290 nan 0.000 0.471 194 V N 4.338 124.202 119.914 -0.084 0.000 2.479 194 V HA 0.119 4.238 4.120 -0.002 0.000 0.281 194 V C 0.618 176.637 176.094 -0.125 0.000 1.031 194 V CA -0.061 62.208 62.300 -0.052 0.000 1.038 194 V CB 0.628 32.434 31.823 -0.028 0.000 0.981 194 V HN 0.548 nan 8.190 nan 0.000 0.478 195 I N 6.360 126.861 120.570 -0.115 0.000 2.371 195 I HA 0.277 4.446 4.170 -0.002 0.000 0.290 195 I C -0.288 175.686 176.117 -0.238 0.000 1.028 195 I CA -0.020 61.203 61.300 -0.129 0.000 1.345 195 I CB 0.811 38.797 38.000 -0.022 0.000 1.407 195 I HN 0.353 nan 8.210 nan 0.000 0.501 196 I N 6.043 126.366 120.570 -0.411 0.000 2.411 196 I HA 0.197 4.366 4.170 -0.002 0.000 0.284 196 I C 0.621 176.505 176.117 -0.388 0.000 1.012 196 I CA -0.411 60.599 61.300 -0.483 0.000 1.119 196 I CB 1.466 38.907 38.000 -0.932 0.000 1.261 196 I HN 0.554 nan 8.210 nan 0.000 0.448 197 T N 2.087 116.515 114.554 -0.211 0.000 2.816 197 T HA 0.249 4.598 4.350 -0.002 0.000 0.282 197 T C 1.439 176.071 174.700 -0.113 0.000 0.993 197 T CA -0.089 61.930 62.100 -0.136 0.000 0.994 197 T CB 1.054 69.895 68.868 -0.045 0.000 1.025 197 T HN 0.483 nan 8.240 nan 0.000 0.529 198 H N 0.312 119.367 119.070 -0.024 0.000 2.352 198 H HA -0.081 4.473 4.556 -0.002 0.000 0.299 198 H C 2.466 177.808 175.328 0.023 0.000 1.097 198 H CA 2.106 58.162 56.048 0.013 0.000 1.311 198 H CB -0.005 29.762 29.762 0.008 0.000 1.377 198 H HN 0.640 nan 8.280 nan 0.000 0.504 199 R N 1.197 121.772 120.500 0.126 0.000 2.081 199 R HA -0.145 4.193 4.340 -0.002 0.000 0.235 199 R C 1.960 178.292 176.300 0.053 0.000 1.131 199 R CA 1.669 57.813 56.100 0.073 0.000 0.960 199 R CB 0.090 30.410 30.300 0.034 0.000 0.856 199 R HN 0.434 nan 8.270 nan 0.000 0.436 200 E N -0.079 120.136 120.200 0.024 0.000 2.028 200 E HA -0.088 4.260 4.350 -0.002 0.000 0.191 200 E C 1.144 177.773 176.600 0.049 0.000 0.988 200 E CA 0.903 57.312 56.400 0.016 0.000 0.799 200 E CB -0.120 29.560 29.700 -0.033 0.000 0.755 200 E HN 0.067 nan 8.360 nan 0.000 0.447 204 N N 0.065 118.837 118.700 0.119 0.000 2.135 204 N HA -0.032 4.707 4.740 -0.002 0.000 0.186 204 N C 1.550 177.112 175.510 0.087 0.000 1.027 204 N CA 1.648 54.749 53.050 0.084 0.000 0.849 204 N CB -0.198 38.326 38.487 0.061 0.000 1.002 204 N HN 0.261 nan 8.380 nan 0.000 0.425 205 L N 1.066 122.345 121.223 0.094 0.000 2.013 205 L HA -0.144 4.194 4.340 -0.002 0.000 0.212 205 L C 2.379 179.303 176.870 0.089 0.000 1.073 205 L CA 1.451 56.342 54.840 0.084 0.000 0.753 205 L CB -1.210 40.911 42.059 0.102 0.000 0.890 205 L HN 0.218 nan 8.230 nan 0.000 0.432 206 R N 0.048 120.609 120.500 0.102 0.000 2.083 206 R HA -0.136 4.203 4.340 -0.002 0.000 0.237 206 R C 2.185 178.569 176.300 0.140 0.000 1.137 206 R CA 1.856 58.021 56.100 0.108 0.000 0.951 206 R CB -0.854 29.489 30.300 0.071 0.000 0.851 206 R HN 0.319 nan 8.270 nan 0.000 0.434 207 A N 0.517 123.415 122.820 0.130 0.000 1.865 207 A HA -0.144 4.174 4.320 -0.002 0.000 0.217 207 A C 2.370 179.986 177.584 0.053 0.000 1.191 207 A CA 1.902 54.008 52.037 0.115 0.000 0.623 207 A CB -0.746 18.287 19.000 0.055 0.000 0.826 207 A HN 0.392 nan 8.150 nan 0.000 0.444 208 I N 0.523 121.119 120.570 0.042 0.000 2.099 208 I HA -0.301 3.868 4.170 -0.002 0.000 0.239 208 I C 3.021 179.048 176.117 -0.149 0.000 1.066 208 I CA 1.927 63.177 61.300 -0.083 0.000 1.324 208 I CB -0.358 37.656 38.000 0.023 0.000 1.037 208 I HN 0.533 nan 8.210 nan 0.000 0.401 209 S N -0.533 115.159 115.700 -0.014 0.000 2.368 209 S HA -0.290 4.179 4.470 -0.002 0.000 0.225 209 S C 2.055 176.803 174.600 0.246 0.000 1.030 209 S CA 1.471 59.689 58.200 0.031 0.000 0.999 209 S CB -0.666 62.538 63.200 0.007 0.000 0.844 209 S HN 0.573 nan 8.310 nan 0.000 0.459 210 H N 0.152 119.336 119.070 0.190 0.000 2.582 210 H HA 0.185 4.739 4.556 -0.002 0.000 0.269 210 H C 0.428 175.759 175.328 0.005 0.000 0.962 210 H CA 0.969 57.124 56.048 0.179 0.000 1.230 210 H CB 0.384 30.181 29.762 0.060 0.000 1.445 210 H HN 0.414 nan 8.280 nan 0.000 0.528 211 D N -1.259 119.089 120.400 -0.087 0.000 2.403 211 D HA 0.086 4.725 4.640 -0.002 0.000 0.280 211 D C 1.802 178.000 176.300 -0.169 0.000 1.091 211 D CA 0.713 54.629 54.000 -0.140 0.000 0.884 211 D CB 0.137 40.939 40.800 0.004 0.000 1.427 211 D HN 0.383 nan 8.370 nan 0.000 0.504 212 G N 1.465 110.066 108.800 -0.333 0.000 2.610 212 G HA2 0.021 3.980 3.960 -0.002 0.000 0.215 212 G HA3 0.021 3.980 3.960 -0.002 0.000 0.215 212 G C 1.508 175.849 174.900 -0.932 0.000 1.243 212 G CA 0.047 44.656 45.100 -0.818 0.000 0.847 212 G HN 0.040 nan 8.290 nan 0.000 0.560 213 I N 0.422 120.387 120.570 -1.008 0.000 2.252 213 I HA -0.014 4.155 4.170 -0.002 0.000 0.245 213 I C 0.470 176.455 176.117 -0.221 0.000 1.102 213 I CA 1.037 62.050 61.300 -0.478 0.000 1.385 213 I CB -0.742 37.077 38.000 -0.302 0.000 1.064 213 I HN 0.281 nan 8.210 nan 0.000 0.414 214 K N 1.373 121.666 120.400 -0.179 0.000 4.854 214 K HA -0.138 4.181 4.320 -0.002 0.000 0.338 214 K C -0.555 176.057 176.600 0.020 0.000 1.013 214 K CA -0.008 56.248 56.287 -0.051 0.000 1.072 214 K CB -1.498 30.955 32.500 -0.079 0.000 1.642 214 K HN 0.216 nan 8.250 nan 0.000 0.426 215 L N 1.510 122.765 121.223 0.053 0.000 2.466 215 L HA 0.400 4.738 4.340 -0.002 0.000 0.257 215 L C 0.922 177.841 176.870 0.083 0.000 1.189 215 L CA -0.257 54.588 54.840 0.007 0.000 0.813 215 L CB 0.680 42.669 42.059 -0.117 0.000 1.118 215 L HN 0.353 nan 8.230 nan 0.000 0.471 216 R N 0.538 121.063 120.500 0.041 0.000 2.836 216 R HA 0.466 4.804 4.340 -0.002 0.000 0.269 216 R C -2.622 173.703 176.300 0.041 0.000 1.010 216 R CA -1.918 54.233 56.100 0.086 0.000 0.930 216 R CB 1.070 31.415 30.300 0.075 0.000 1.218 216 R HN 0.291 nan 8.270 nan 0.000 0.473 217 P HA 0.079 nan 4.420 nan 0.000 0.268 217 P C 0.439 177.763 177.300 0.041 0.000 1.204 217 P CA 0.705 63.834 63.100 0.050 0.000 0.768 217 P CB 0.722 32.464 31.700 0.071 0.000 0.842 218 G N 1.754 110.574 108.800 0.033 0.000 2.217 218 G HA2 -0.200 3.758 3.960 -0.002 0.000 0.246 218 G HA3 -0.200 3.758 3.960 -0.002 0.000 0.246 218 G C 0.159 175.077 174.900 0.030 0.000 0.990 218 G CA -0.280 44.839 45.100 0.031 0.000 0.627 218 G HN 0.508 nan 8.290 nan 0.000 0.522 219 D N 0.410 120.827 120.400 0.029 0.000 2.400 219 D HA 0.495 5.134 4.640 -0.002 0.000 0.238 219 D C 0.805 177.124 176.300 0.032 0.000 1.157 219 D CA 0.488 54.508 54.000 0.034 0.000 0.889 219 D CB 0.617 41.435 40.800 0.029 0.000 1.199 219 D HN 0.657 nan 8.370 nan 0.000 0.436 220 R N 1.333 121.857 120.500 0.040 0.000 2.522 220 R HA 0.385 4.724 4.340 -0.002 0.000 0.283 220 R C -1.505 174.823 176.300 0.046 0.000 1.074 220 R CA -0.620 55.498 56.100 0.029 0.000 0.925 220 R CB 0.274 30.577 30.300 0.004 0.000 1.205 220 R HN 0.419 nan 8.270 nan 0.000 0.436 221 C N 2.913 122.257 119.300 0.072 0.000 2.459 221 C HA 0.680 5.139 4.460 -0.002 0.000 0.374 221 C C -0.050 174.970 174.990 0.049 0.000 1.241 221 C CA -0.542 58.579 59.018 0.172 0.000 2.352 221 C CB 0.937 28.874 27.740 0.329 0.000 2.490 221 C HN 0.523 nan 8.230 nan 0.000 0.583 222 V N 2.186 122.116 119.914 0.026 0.000 2.623 222 V HA 0.679 4.797 4.120 -0.002 0.000 0.304 222 V C -0.281 175.609 176.094 -0.340 0.000 1.054 222 V CA -0.057 62.162 62.300 -0.134 0.000 0.882 222 V CB 1.760 33.517 31.823 -0.111 0.000 1.002 222 V HN 0.981 nan 8.190 nan 0.000 0.424 223 S N 4.872 120.328 115.700 -0.406 0.000 2.541 223 S HA 0.629 5.098 4.470 -0.002 0.000 0.280 223 S C -0.213 174.151 174.600 -0.393 0.000 1.112 223 S CA -0.640 57.141 58.200 -0.699 0.000 0.925 223 S CB 1.535 64.253 63.200 -0.805 0.000 1.067 223 S HN 0.904 nan 8.310 nan 0.000 0.479 224 W N 4.514 125.439 121.300 -0.625 0.000 2.870 224 W HA 0.372 5.032 4.660 -0.001 0.000 0.358 224 W C -0.833 175.385 176.519 -0.502 0.000 1.043 224 W CA -0.564 56.467 57.345 -0.524 0.000 1.692 224 W CB -0.605 28.429 29.460 -0.711 0.000 1.100 224 W HN 0.312 nan 8.180 nan 0.000 0.557 225 L N 3.475 124.169 121.223 -0.883 0.000 2.467 225 L HA 0.239 4.578 4.340 -0.002 0.000 0.270 225 L C -1.880 174.679 176.870 -0.519 0.000 1.205 225 L CA -1.678 52.720 54.840 -0.736 0.000 0.828 225 L CB -0.238 41.387 42.059 -0.722 0.000 1.101 225 L HN -0.422 nan 8.230 nan 0.000 0.479 226 P HA 0.108 nan 4.420 nan 0.000 0.278 226 P C 0.016 176.930 177.300 -0.644 0.000 1.238 226 P CA -0.337 62.247 63.100 -0.861 0.000 0.794 226 P CB 0.411 31.117 31.700 -1.658 0.000 0.955 227 F N 0.801 120.410 119.950 -0.570 0.000 2.604 227 F HA -0.058 4.468 4.527 -0.002 0.000 0.298 227 F C 1.903 177.500 175.800 -0.340 0.000 1.131 227 F CA 0.709 58.450 58.000 -0.432 0.000 1.457 227 F CB -1.486 37.181 39.000 -0.554 0.000 1.095 227 F HN 0.387 nan 8.300 nan 0.000 0.574 228 Y N -2.316 117.921 120.300 -0.105 0.000 2.519 228 Y HA 0.194 4.743 4.550 -0.003 0.000 0.287 228 Y C 0.801 176.724 175.900 0.038 0.000 1.128 228 Y CA -0.548 57.507 58.100 -0.076 0.000 1.282 228 Y CB -1.610 36.767 38.460 -0.139 0.000 1.027 228 Y HN 0.044 nan 8.280 nan 0.000 0.551 229 H N 0.782 119.813 119.070 -0.066 0.000 2.505 229 H HA 0.132 4.686 4.556 -0.002 0.000 0.355 229 H C -0.261 175.076 175.328 0.015 0.000 1.179 229 H CA -0.821 55.244 56.048 0.028 0.000 1.343 229 H CB 0.833 30.571 29.762 -0.041 0.000 1.501 229 H HN 0.150 nan 8.280 nan 0.000 0.569 233 L N 1.722 123.022 121.223 0.127 0.000 1.973 233 L HA 0.227 4.566 4.340 -0.002 0.000 0.208 233 L C 2.688 179.506 176.870 -0.088 0.000 1.073 233 L CA 2.407 57.229 54.840 -0.031 0.000 0.746 233 L CB -0.490 41.484 42.059 -0.143 0.000 0.891 233 L HN 0.101 nan 8.230 nan 0.000 0.433 234 V N 0.024 119.907 119.914 -0.051 0.000 2.488 234 V HA -0.048 4.071 4.120 -0.002 0.000 0.246 234 V C 2.525 178.598 176.094 -0.035 0.000 1.046 234 V CA 1.507 63.781 62.300 -0.044 0.000 1.053 234 V CB -1.254 30.578 31.823 0.016 0.000 0.679 234 V HN 0.631 nan 8.190 nan 0.000 0.458 235 G N -1.213 107.575 108.800 -0.020 0.000 2.403 235 G HA2 -0.144 3.814 3.960 -0.002 0.000 0.216 235 G HA3 -0.144 3.814 3.960 -0.002 0.000 0.216 235 G C 1.201 175.829 174.900 -0.453 0.000 1.154 235 G CA 0.606 45.586 45.100 -0.199 0.000 0.784 235 G HN 0.524 nan 8.290 nan 0.000 0.538 236 F N -1.165 118.835 119.950 0.084 0.000 2.746 236 F HA 0.475 5.001 4.527 -0.002 0.000 0.320 236 F C 1.638 177.603 175.800 0.274 0.000 1.097 236 F CA -0.388 57.718 58.000 0.177 0.000 1.195 236 F CB 0.562 39.682 39.000 0.200 0.000 1.056 236 F HN 0.042 nan 8.300 nan 0.000 0.562 237 L N -0.791 120.548 121.223 0.193 0.000 2.347 237 L HA 0.122 4.461 4.340 -0.002 0.000 0.196 237 L C 1.864 178.791 176.870 0.095 0.000 1.072 237 L CA 0.781 55.657 54.840 0.059 0.000 0.817 237 L CB -0.075 41.742 42.059 -0.403 0.000 1.029 237 L HN 0.029 nan 8.230 nan 0.000 0.478 238 L N -0.507 120.723 121.223 0.012 0.000 2.056 238 L HA -0.147 4.191 4.340 -0.002 0.000 0.207 238 L C 2.463 179.365 176.870 0.052 0.000 1.078 238 L CA 1.615 56.497 54.840 0.071 0.000 0.749 238 L CB -0.944 41.130 42.059 0.026 0.000 0.901 238 L HN 0.274 nan 8.230 nan 0.000 0.433 239 T N -0.042 114.503 114.554 -0.015 0.000 2.746 239 T HA -0.071 4.278 4.350 -0.002 0.000 0.267 239 T C -0.583 174.087 174.700 -0.050 0.000 1.039 239 T CA 1.169 63.235 62.100 -0.057 0.000 1.142 239 T CB -1.112 67.662 68.868 -0.156 0.000 0.866 239 T HN 0.234 nan 8.240 nan 0.000 0.444 240 P HA 0.050 nan 4.420 nan 0.000 0.222 240 P C 1.431 178.710 177.300 -0.036 0.000 1.147 240 P CA 0.401 63.529 63.100 0.047 0.000 0.790 240 P CB -0.137 31.665 31.700 0.170 0.000 0.780 241 V N -0.060 119.796 119.914 -0.097 0.000 2.488 241 V HA -0.067 4.052 4.120 -0.002 0.000 0.246 241 V C 2.206 178.157 176.094 -0.239 0.000 1.046 241 V CA 1.963 64.038 62.300 -0.375 0.000 1.053 241 V CB -1.372 30.359 31.823 -0.153 0.000 0.679 241 V HN 0.074 nan 8.190 nan 0.000 0.458 242 A N -1.234 121.555 122.820 -0.051 0.000 2.238 242 A HA 0.034 4.353 4.320 -0.002 0.000 0.208 242 A C 1.863 179.505 177.584 0.097 0.000 1.177 242 A CA 1.338 53.415 52.037 0.066 0.000 0.804 242 A CB -0.246 18.833 19.000 0.132 0.000 0.823 242 A HN 0.463 nan 8.150 nan 0.000 0.482 243 T N -0.760 113.788 114.554 -0.010 0.000 3.058 243 T HA 0.197 4.546 4.350 -0.002 0.000 0.278 243 T C 0.024 174.715 174.700 -0.015 0.000 0.974 243 T CA 0.109 62.175 62.100 -0.056 0.000 0.893 243 T CB 0.212 69.000 68.868 -0.132 0.000 1.138 243 T HN 0.526 nan 8.240 nan 0.000 0.529 244 Q N 0.995 120.784 119.800 -0.017 0.000 2.435 244 Q HA -0.150 4.189 4.340 -0.002 0.000 0.286 244 Q C -0.430 175.636 176.000 0.110 0.000 1.229 244 Q CA 0.672 56.490 55.803 0.025 0.000 0.884 244 Q CB -2.098 26.720 28.738 0.133 0.000 1.245 244 Q HN 0.524 nan 8.270 nan 0.000 0.488 245 L N -0.084 121.201 121.223 0.104 0.000 2.325 245 L HA 0.488 4.826 4.340 -0.002 0.000 0.278 245 L C 0.530 177.521 176.870 0.200 0.000 1.023 245 L CA -0.804 54.105 54.840 0.115 0.000 0.811 245 L CB 1.739 43.818 42.059 0.035 0.000 1.249 245 L HN 0.061 nan 8.230 nan 0.000 0.431 246 S N 1.239 117.008 115.700 0.115 0.000 2.600 246 S HA 0.454 4.923 4.470 -0.002 0.000 0.265 246 S C -0.402 174.198 174.600 0.001 0.000 1.325 246 S CA -0.433 57.790 58.200 0.039 0.000 1.002 246 S CB 1.945 65.131 63.200 -0.023 0.000 0.921 246 S HN 0.390 nan 8.310 nan 0.000 0.554 247 V N 1.368 121.218 119.914 -0.106 0.000 3.012 247 V HA 0.468 4.587 4.120 -0.002 0.000 0.307 247 V C -1.996 173.840 176.094 -0.430 0.000 1.166 247 V CA -0.821 61.348 62.300 -0.217 0.000 0.974 247 V CB 2.442 34.141 31.823 -0.206 0.000 1.040 247 V HN 0.878 nan 8.190 nan 0.000 0.428 248 D N 4.323 124.473 120.400 -0.416 0.000 2.375 248 D HA 0.468 5.106 4.640 -0.002 0.000 0.247 248 D C -1.336 174.717 176.300 -0.412 0.000 1.061 248 D CA 0.192 53.990 54.000 -0.336 0.000 0.834 248 D CB 1.624 42.331 40.800 -0.155 0.000 1.247 248 D HN 0.492 nan 8.370 nan 0.000 0.489 249 Y N 0.451 120.747 120.300 -0.006 0.000 2.420 249 Y HA 0.490 5.039 4.550 -0.003 0.000 0.334 249 Y C 0.472 176.422 175.900 0.084 0.000 1.094 249 Y CA -0.971 57.119 58.100 -0.017 0.000 1.126 249 Y CB 1.788 40.220 38.460 -0.048 0.000 1.217 249 Y HN 0.064 nan 8.280 nan 0.000 0.462 250 L N 2.775 124.131 121.223 0.221 0.000 2.334 250 L HA 0.571 4.909 4.340 -0.002 0.000 0.270 250 L C -0.067 176.887 176.870 0.140 0.000 1.018 250 L CA -1.150 53.810 54.840 0.200 0.000 0.811 250 L CB 1.505 43.678 42.059 0.190 0.000 1.271 250 L HN 0.588 nan 8.230 nan 0.000 0.443 251 R N -0.021 120.551 120.500 0.120 0.000 2.539 251 R HA 0.158 4.496 4.340 -0.002 0.000 0.275 251 R C 0.751 177.106 176.300 0.092 0.000 1.077 251 R CA -0.335 55.798 56.100 0.055 0.000 1.097 251 R CB 0.854 31.187 30.300 0.055 0.000 1.018 251 R HN 0.623 nan 8.270 nan 0.000 0.483 252 T N 1.750 116.341 114.554 0.061 0.000 2.746 252 T HA -0.159 4.190 4.350 -0.002 0.000 0.267 252 T C 1.818 176.620 174.700 0.169 0.000 1.039 252 T CA 1.286 63.492 62.100 0.176 0.000 1.142 252 T CB 0.005 68.938 68.868 0.109 0.000 0.866 252 T HN 0.603 nan 8.240 nan 0.000 0.444 253 Q N 1.472 121.332 119.800 0.100 0.000 2.119 253 Q HA -0.144 4.195 4.340 -0.002 0.000 0.201 253 Q C 1.406 177.421 176.000 0.025 0.000 0.972 253 Q CA 1.374 57.213 55.803 0.060 0.000 0.847 253 Q CB -0.621 28.149 28.738 0.053 0.000 0.903 253 Q HN 0.404 nan 8.270 nan 0.000 0.433 254 D N 0.652 121.080 120.400 0.047 0.000 2.117 254 D HA -0.105 4.534 4.640 -0.002 0.000 0.197 254 D C 1.724 178.023 176.300 -0.003 0.000 0.987 254 D CA 0.878 54.894 54.000 0.027 0.000 0.829 254 D CB -0.445 40.392 40.800 0.062 0.000 0.961 254 D HN 0.284 nan 8.370 nan 0.000 0.460 255 F N 1.926 121.789 119.950 -0.146 0.000 2.102 255 F HA -0.010 4.516 4.527 -0.001 0.000 0.298 255 F C 1.274 176.885 175.800 -0.315 0.000 1.105 255 F CA 0.871 58.680 58.000 -0.318 0.000 1.239 255 F CB -0.506 38.087 39.000 -0.680 0.000 0.991 255 F HN -0.120 nan 8.300 nan 0.000 0.474 259 P HA -0.251 nan 4.420 nan 0.000 0.219 259 P C 1.358 178.647 177.300 -0.018 0.000 1.161 259 P CA 1.109 63.867 63.100 -0.571 0.000 0.909 259 P CB 0.229 31.690 31.700 -0.398 0.000 0.793 260 L N -0.902 120.323 121.223 0.003 0.000 2.349 260 L HA -0.169 4.169 4.340 -0.002 0.000 0.220 260 L C 2.162 179.064 176.870 0.054 0.000 1.130 260 L CA 1.691 56.564 54.840 0.055 0.000 0.791 260 L CB -1.352 40.732 42.059 0.042 0.000 0.918 260 L HN 0.159 nan 8.230 nan 0.000 0.444 261 Q N -1.710 118.128 119.800 0.063 0.000 2.364 261 Q HA -0.231 4.107 4.340 -0.002 0.000 0.209 261 Q C 1.908 177.988 176.000 0.135 0.000 0.977 261 Q CA 0.968 56.812 55.803 0.069 0.000 0.885 261 Q CB -0.307 28.465 28.738 0.057 0.000 0.941 261 Q HN 0.631 nan 8.270 nan 0.000 0.464 262 W N 1.255 122.557 121.300 0.003 0.000 2.378 262 W HA -0.103 4.555 4.660 -0.003 0.000 0.313 262 W C 1.577 178.005 176.519 -0.152 0.000 1.197 262 W CA 1.057 58.385 57.345 -0.029 0.000 1.304 262 W CB -0.642 28.841 29.460 0.038 0.000 1.148 262 W HN 0.046 nan 8.180 nan 0.000 0.494 263 L N 0.822 121.870 121.223 -0.292 0.000 2.141 263 L HA -0.184 4.154 4.340 -0.002 0.000 0.209 263 L C 2.655 179.349 176.870 -0.294 0.000 1.094 263 L CA 1.094 55.626 54.840 -0.513 0.000 0.763 263 L CB -1.078 40.721 42.059 -0.434 0.000 0.908 263 L HN -0.133 nan 8.230 nan 0.000 0.437 264 K N 0.547 120.856 120.400 -0.152 0.000 2.001 264 K HA -0.201 4.118 4.320 -0.002 0.000 0.214 264 K C 2.115 178.620 176.600 -0.158 0.000 1.050 264 K CA 1.325 57.544 56.287 -0.113 0.000 0.934 264 K CB -0.753 31.713 32.500 -0.058 0.000 0.718 264 K HN 0.214 nan 8.250 nan 0.000 0.443 265 L N 1.374 122.498 121.223 -0.165 0.000 2.013 265 L HA -0.231 4.108 4.340 -0.002 0.000 0.212 265 L C 2.386 179.094 176.870 -0.270 0.000 1.073 265 L CA 1.606 56.298 54.840 -0.247 0.000 0.753 265 L CB -0.591 41.336 42.059 -0.219 0.000 0.890 265 L HN 0.212 nan 8.230 nan 0.000 0.432 266 I N -0.664 119.718 120.570 -0.313 0.000 2.091 266 I HA -0.375 3.793 4.170 -0.002 0.000 0.239 266 I C 2.799 178.766 176.117 -0.250 0.000 1.061 266 I CA 1.861 62.938 61.300 -0.372 0.000 1.317 266 I CB -0.458 37.137 38.000 -0.674 0.000 1.031 266 I HN 0.306 nan 8.210 nan 0.000 0.401 267 S N 0.420 115.993 115.700 -0.212 0.000 2.399 267 S HA -0.247 4.221 4.470 -0.002 0.000 0.231 267 S C 2.118 176.660 174.600 -0.097 0.000 1.022 267 S CA 1.586 59.714 58.200 -0.119 0.000 0.983 267 S CB -0.256 62.891 63.200 -0.087 0.000 0.803 267 S HN 0.323 nan 8.310 nan 0.000 0.480 268 K N 0.676 121.002 120.400 -0.123 0.000 2.026 268 K HA -0.026 4.292 4.320 -0.002 0.000 0.208 268 K C 1.042 177.590 176.600 -0.086 0.000 1.048 268 K CA 1.658 57.884 56.287 -0.102 0.000 0.929 268 K CB -0.239 32.177 32.500 -0.140 0.000 0.713 268 K HN 0.508 nan 8.250 nan 0.000 0.439 269 N N 0.193 118.824 118.700 -0.115 0.000 2.238 269 N HA 0.105 4.844 4.740 -0.002 0.000 0.222 269 N C -0.893 174.579 175.510 -0.063 0.000 1.133 269 N CA -0.266 52.737 53.050 -0.080 0.000 0.854 269 N CB 0.677 39.105 38.487 -0.098 0.000 1.041 269 N HN 0.054 nan 8.380 nan 0.000 0.510 270 R N 0.327 120.789 120.500 -0.064 0.000 3.416 270 R HA -0.119 4.220 4.340 -0.002 0.000 0.263 270 R C 0.326 176.598 176.300 -0.047 0.000 1.053 270 R CA 0.475 56.550 56.100 -0.042 0.000 0.705 270 R CB -2.567 27.724 30.300 -0.016 0.000 1.124 270 R HN 0.383 nan 8.270 nan 0.000 0.444 271 G N -0.492 108.248 108.800 -0.099 0.000 2.647 271 G HA2 0.145 4.103 3.960 -0.002 0.000 0.234 271 G HA3 0.145 4.103 3.960 -0.002 0.000 0.234 271 G C 0.853 175.715 174.900 -0.063 0.000 1.252 271 G CA 0.652 45.684 45.100 -0.113 0.000 0.846 271 G HN 0.237 nan 8.290 nan 0.000 0.589 272 T N -0.482 114.074 114.554 0.003 0.000 3.115 272 T HA 0.205 4.553 4.350 -0.002 0.000 0.256 272 T C 0.343 175.205 174.700 0.270 0.000 0.970 272 T CA 0.260 62.435 62.100 0.125 0.000 1.010 272 T CB 0.360 69.285 68.868 0.095 0.000 1.151 272 T HN 0.224 nan 8.240 nan 0.000 0.479 273 V N 1.408 121.457 119.914 0.225 0.000 2.604 273 V HA 0.811 4.930 4.120 -0.002 0.000 0.305 273 V C -0.776 175.558 176.094 0.400 0.000 1.043 273 V CA -0.493 62.019 62.300 0.353 0.000 0.888 273 V CB 1.812 33.788 31.823 0.255 0.000 0.995 273 V HN 0.289 nan 8.190 nan 0.000 0.429 274 S N 3.281 119.336 115.700 0.592 0.000 2.547 274 S HA 0.855 5.324 4.470 -0.002 0.000 0.270 274 S C -1.810 173.148 174.600 0.595 0.000 1.150 274 S CA -0.402 58.091 58.200 0.488 0.000 0.850 274 S CB 1.995 65.413 63.200 0.364 0.000 1.118 274 S HN 0.535 nan 8.310 nan 0.000 0.461 275 V N 1.791 121.888 119.914 0.304 0.000 2.888 275 V HA 0.984 5.102 4.120 -0.002 0.000 0.309 275 V C -0.079 175.932 176.094 -0.137 0.000 1.114 275 V CA -0.203 62.273 62.300 0.293 0.000 0.940 275 V CB 1.389 33.457 31.823 0.407 0.000 1.021 275 V HN 1.283 nan 8.190 nan 0.000 0.426 276 A N 5.113 127.894 122.820 -0.064 0.000 2.593 276 A HA 1.059 5.378 4.320 -0.002 0.000 0.290 276 A C -3.212 174.296 177.584 -0.128 0.000 1.126 276 A CA -1.715 50.066 52.037 -0.426 0.000 0.695 276 A CB 2.219 20.803 19.000 -0.693 0.000 1.290 276 A HN 0.587 nan 8.150 nan 0.000 0.414 277 P HA 0.330 nan 4.420 nan 0.000 0.274 277 P C -2.092 175.182 177.300 -0.042 0.000 1.246 277 P CA -1.240 61.771 63.100 -0.149 0.000 0.795 277 P CB 0.093 31.628 31.700 -0.275 0.000 1.006 278 P HA -0.230 nan 4.420 nan 0.000 0.217 278 P C 1.301 178.752 177.300 0.251 0.000 1.158 278 P CA 1.702 64.921 63.100 0.198 0.000 0.887 278 P CB -0.628 31.192 31.700 0.200 0.000 0.792 279 F N -1.225 118.882 119.950 0.263 0.000 2.293 279 F HA 0.130 4.656 4.527 -0.003 0.000 0.300 279 F C 2.103 178.089 175.800 0.310 0.000 1.086 279 F CA 1.032 59.185 58.000 0.254 0.000 1.375 279 F CB -1.886 37.237 39.000 0.205 0.000 1.045 279 F HN -0.182 nan 8.300 nan 0.000 0.516 280 G N -0.117 108.459 108.800 -0.373 0.000 2.442 280 G HA2 -0.279 3.680 3.960 -0.002 0.000 0.219 280 G HA3 -0.279 3.680 3.960 -0.002 0.000 0.219 280 G C 1.328 176.404 174.900 0.292 0.000 1.141 280 G CA 1.147 46.238 45.100 -0.014 0.000 0.763 280 G HN 0.490 nan 8.290 nan 0.000 0.554 281 Y N 0.149 120.618 120.300 0.281 0.000 2.243 281 Y HA 0.058 4.607 4.550 -0.002 0.000 0.293 281 Y C 2.776 178.903 175.900 0.378 0.000 1.124 281 Y CA 1.168 59.405 58.100 0.229 0.000 1.159 281 Y CB -0.023 38.378 38.460 -0.098 0.000 1.008 281 Y HN 0.151 nan 8.280 nan 0.000 0.527 282 E N 0.760 121.240 120.200 0.467 0.000 2.051 282 E HA -0.200 4.148 4.350 -0.002 0.000 0.192 282 E C 2.288 179.091 176.600 0.338 0.000 0.991 282 E CA 0.773 57.409 56.400 0.392 0.000 0.799 282 E CB -0.381 29.513 29.700 0.324 0.000 0.748 282 E HN 0.442 nan 8.360 nan 0.000 0.449 283 L N 0.615 122.027 121.223 0.315 0.000 1.997 283 L HA -0.322 4.017 4.340 -0.002 0.000 0.216 283 L C 2.736 179.716 176.870 0.184 0.000 1.074 283 L CA 1.949 56.898 54.840 0.182 0.000 0.763 283 L CB -0.568 41.570 42.059 0.130 0.000 0.890 283 L HN 0.365 nan 8.230 nan 0.000 0.434 284 C N -0.737 118.759 119.300 0.327 0.000 2.386 284 C HA -0.234 4.224 4.460 -0.002 0.000 0.279 284 C C 2.855 178.087 174.990 0.403 0.000 1.208 284 C CA 1.314 60.559 59.018 0.379 0.000 1.747 284 C CB -1.042 27.029 27.740 0.551 0.000 2.046 284 C HN 0.613 nan 8.230 nan 0.000 0.453 285 Q N 0.865 120.970 119.800 0.509 0.000 2.226 285 Q HA -0.181 4.158 4.340 -0.002 0.000 0.204 285 Q C 2.232 178.316 176.000 0.140 0.000 0.975 285 Q CA 1.437 57.423 55.803 0.305 0.000 0.866 285 Q CB -0.486 28.450 28.738 0.329 0.000 0.915 285 Q HN 0.667 nan 8.270 nan 0.000 0.440 286 R N -0.126 120.470 120.500 0.159 0.000 2.115 286 R HA 0.002 4.340 4.340 -0.002 0.000 0.230 286 R C 1.140 177.466 176.300 0.043 0.000 1.111 286 R CA 1.097 57.248 56.100 0.085 0.000 0.976 286 R CB 0.245 30.587 30.300 0.071 0.000 0.870 286 R HN 0.116 nan 8.270 nan 0.000 0.445 287 R N -0.246 120.283 120.500 0.050 0.000 2.613 287 R HA 0.190 4.529 4.340 -0.002 0.000 0.361 287 R C -0.579 175.738 176.300 0.028 0.000 1.072 287 R CA -0.271 55.837 56.100 0.013 0.000 1.089 287 R CB 1.488 31.770 30.300 -0.031 0.000 1.343 287 R HN -0.023 nan 8.270 nan 0.000 0.571 288 V N 2.159 122.102 119.914 0.049 0.000 2.834 288 V HA 0.235 4.354 4.120 -0.002 0.000 0.301 288 V C -0.710 175.383 176.094 -0.002 0.000 1.066 288 V CA -0.303 62.026 62.300 0.050 0.000 1.052 288 V CB 1.252 33.099 31.823 0.041 0.000 1.021 288 V HN 0.563 nan 8.190 nan 0.000 0.480 289 N N 2.741 121.442 118.700 0.002 0.000 2.494 289 N HA 0.370 5.108 4.740 -0.002 0.000 0.270 289 N C 0.211 175.714 175.510 -0.012 0.000 1.285 289 N CA -0.776 52.266 53.050 -0.015 0.000 0.812 289 N CB 1.166 39.647 38.487 -0.011 0.000 1.557 289 N HN 0.388 nan 8.380 nan 0.000 0.487 290 E N 0.475 120.662 120.200 -0.020 0.000 2.097 290 E HA -0.251 4.097 4.350 -0.002 0.000 0.196 290 E C 1.030 177.627 176.600 -0.005 0.000 1.000 290 E CA 1.115 57.505 56.400 -0.017 0.000 0.804 290 E CB -0.067 29.622 29.700 -0.019 0.000 0.740 290 E HN 0.688 nan 8.360 nan 0.000 0.454 291 K N 0.810 121.208 120.400 -0.003 0.000 2.113 291 K HA -0.207 4.112 4.320 -0.002 0.000 0.208 291 K C 1.388 177.992 176.600 0.007 0.000 1.047 291 K CA 1.547 57.834 56.287 0.000 0.000 0.928 291 K CB 0.009 32.508 32.500 -0.001 0.000 0.716 291 K HN 0.040 nan 8.250 nan 0.000 0.446 292 D N 0.711 121.119 120.400 0.013 0.000 2.123 292 D HA -0.103 4.536 4.640 -0.002 0.000 0.200 292 D C 1.921 178.242 176.300 0.036 0.000 0.976 292 D CA 0.792 54.807 54.000 0.026 0.000 0.831 292 D CB -0.120 40.705 40.800 0.042 0.000 0.974 292 D HN 0.251 nan 8.370 nan 0.000 0.469 293 L N 0.699 121.944 121.223 0.038 0.000 2.549 293 L HA -0.018 4.321 4.340 -0.002 0.000 0.229 293 L C 2.276 179.164 176.870 0.029 0.000 1.158 293 L CA 0.250 55.118 54.840 0.046 0.000 0.842 293 L CB -0.380 41.692 42.059 0.022 0.000 0.952 293 L HN -0.055 nan 8.230 nan 0.000 0.452 294 A N 0.141 122.971 122.820 0.017 0.000 2.066 294 A HA -0.141 4.178 4.320 -0.002 0.000 0.218 294 A C 2.080 179.671 177.584 0.010 0.000 1.157 294 A CA 1.294 53.338 52.037 0.011 0.000 0.670 294 A CB -0.102 18.901 19.000 0.006 0.000 0.804 294 A HN 0.369 nan 8.150 nan 0.000 0.453 295 E N -0.616 119.590 120.200 0.010 0.000 2.307 295 E HA 0.221 4.570 4.350 -0.002 0.000 0.195 295 E C 0.011 176.613 176.600 0.004 0.000 0.975 295 E CA -0.130 56.272 56.400 0.003 0.000 0.878 295 E CB 0.025 29.722 29.700 -0.005 0.000 0.845 295 E HN 0.515 nan 8.360 nan 0.000 0.488 296 L N 2.141 123.372 121.223 0.014 0.000 2.477 296 L HA 0.184 4.522 4.340 -0.002 0.000 0.272 296 L C -0.320 176.570 176.870 0.033 0.000 1.157 296 L CA -0.050 54.800 54.840 0.017 0.000 0.889 296 L CB 0.166 42.250 42.059 0.042 0.000 1.158 296 L HN 0.015 nan 8.230 nan 0.000 0.473 297 D N 3.612 124.027 120.400 0.023 0.000 2.757 297 D HA 0.374 5.013 4.640 -0.002 0.000 0.249 297 D C -0.316 176.018 176.300 0.057 0.000 1.168 297 D CA -0.448 53.578 54.000 0.043 0.000 0.870 297 D CB 1.891 42.708 40.800 0.028 0.000 1.411 297 D HN 0.170 nan 8.370 nan 0.000 0.525 298 L N 2.781 124.071 121.223 0.111 0.000 3.069 298 L HA 0.177 4.515 4.340 -0.002 0.000 0.271 298 L C 1.829 178.814 176.870 0.192 0.000 1.201 298 L CA 0.306 55.261 54.840 0.192 0.000 1.015 298 L CB -0.210 42.047 42.059 0.330 0.000 1.371 298 L HN 0.491 nan 8.230 nan 0.000 0.574 299 S N -1.258 114.505 115.700 0.104 0.000 2.419 299 S HA -0.217 4.252 4.470 -0.002 0.000 0.233 299 S C 2.126 176.770 174.600 0.073 0.000 1.016 299 S CA 1.045 59.282 58.200 0.062 0.000 0.974 299 S CB -1.096 62.126 63.200 0.035 0.000 0.786 299 S HN 0.635 nan 8.310 nan 0.000 0.492 300 C N -1.636 117.719 119.300 0.092 0.000 2.432 300 C HA 0.150 4.609 4.460 -0.002 0.000 0.282 300 C C 1.222 176.315 174.990 0.171 0.000 1.388 300 C CA -1.308 57.764 59.018 0.089 0.000 1.777 300 C CB -1.977 25.792 27.740 0.048 0.000 1.882 300 C HN 0.648 nan 8.230 nan 0.000 0.520 301 W N 3.526 124.820 121.300 -0.009 0.000 2.724 301 W HA 0.315 4.974 4.660 -0.002 0.000 0.347 301 W C 1.582 178.088 176.519 -0.022 0.000 1.338 301 W CA -0.599 56.751 57.345 0.008 0.000 1.450 301 W CB -0.373 29.121 29.460 0.057 0.000 1.534 301 W HN 0.426 nan 8.180 nan 0.000 0.508 302 R N 2.902 123.594 120.500 0.319 0.000 2.112 302 R HA 0.096 4.435 4.340 -0.002 0.000 0.216 302 R C -0.405 175.921 176.300 0.044 0.000 1.080 302 R CA 0.949 57.116 56.100 0.112 0.000 0.996 302 R CB 0.275 30.640 30.300 0.108 0.000 0.902 302 R HN 0.125 nan 8.270 nan 0.000 0.449 303 V N 1.339 121.353 119.914 0.168 0.000 2.447 303 V HA 0.479 4.598 4.120 -0.002 0.000 0.292 303 V C -1.041 175.183 176.094 0.217 0.000 1.021 303 V CA -0.915 61.455 62.300 0.117 0.000 0.850 303 V CB 1.400 33.319 31.823 0.159 0.000 1.005 303 V HN 0.232 nan 8.190 nan 0.000 0.426 304 A N 3.781 126.560 122.820 -0.069 0.000 2.322 304 A HA 0.795 5.113 4.320 -0.002 0.000 0.327 304 A C 0.525 178.332 177.584 0.372 0.000 1.394 304 A CA -0.006 52.096 52.037 0.108 0.000 0.921 304 A CB 0.516 19.146 19.000 -0.617 0.000 1.153 304 A HN 0.990 nan 8.150 nan 0.000 0.523 305 G N 1.132 110.229 108.800 0.495 0.000 2.400 305 G HA2 0.583 4.541 3.960 -0.002 0.000 0.301 305 G HA3 0.583 4.541 3.960 -0.002 0.000 0.301 305 G C -0.694 174.449 174.900 0.404 0.000 1.154 305 G CA -0.382 44.954 45.100 0.394 0.000 0.852 305 G HN 0.600 nan 8.290 nan 0.000 0.511 306 I N 0.517 121.221 120.570 0.224 0.000 2.569 306 I HA 0.786 4.955 4.170 -0.002 0.000 0.290 306 I C 0.459 176.630 176.117 0.090 0.000 1.088 306 I CA -0.236 61.160 61.300 0.160 0.000 1.047 306 I CB 2.280 40.256 38.000 -0.040 0.000 1.237 306 I HN 0.881 nan 8.210 nan 0.000 0.421 307 G N 2.744 111.594 108.800 0.084 0.000 2.489 307 G HA2 0.691 4.649 3.960 -0.002 0.000 0.305 307 G HA3 0.691 4.649 3.960 -0.002 0.000 0.305 307 G C -0.252 174.685 174.900 0.062 0.000 1.311 307 G CA 0.139 45.276 45.100 0.062 0.000 0.813 307 G HN 1.376 nan 8.290 nan 0.000 0.480 308 A N -1.384 121.475 122.820 0.066 0.000 3.508 308 A HA -0.040 4.278 4.320 -0.002 0.000 0.221 308 A C 0.326 177.974 177.584 0.107 0.000 0.779 308 A CA 1.906 53.979 52.037 0.060 0.000 1.840 308 A CB -1.731 17.290 19.000 0.034 0.000 0.875 308 A HN 1.297 nan 8.150 nan 0.000 0.669 309 E N -0.909 119.371 120.200 0.132 0.000 2.430 309 E HA 0.526 4.875 4.350 -0.002 0.000 0.279 309 E C -3.101 173.589 176.600 0.149 0.000 1.003 309 E CA -2.161 54.331 56.400 0.154 0.000 0.801 309 E CB 1.501 31.312 29.700 0.185 0.000 1.313 309 E HN 0.143 nan 8.360 nan 0.000 0.459 310 P HA 0.022 nan 4.420 nan 0.000 0.261 310 P C -0.763 176.615 177.300 0.131 0.000 1.183 310 P CA 0.534 63.728 63.100 0.157 0.000 0.761 310 P CB 0.191 32.010 31.700 0.197 0.000 0.785 311 I N 1.681 122.308 120.570 0.096 0.000 2.474 311 I HA 0.073 4.241 4.170 -0.002 0.000 0.287 311 I C 0.961 177.098 176.117 0.034 0.000 1.048 311 I CA -0.022 61.307 61.300 0.048 0.000 1.383 311 I CB 0.828 38.824 38.000 -0.007 0.000 1.412 311 I HN 0.265 nan 8.210 nan 0.000 0.531 312 S N 5.229 120.947 115.700 0.031 0.000 2.399 312 S HA 0.397 4.866 4.470 -0.002 0.000 0.301 312 S C 1.045 175.632 174.600 -0.021 0.000 1.093 312 S CA -0.350 57.866 58.200 0.026 0.000 1.077 312 S CB 0.946 64.201 63.200 0.091 0.000 0.980 312 S HN 0.737 nan 8.310 nan 0.000 0.494 313 A N 4.446 127.243 122.820 -0.038 0.000 1.883 313 A HA -0.144 4.174 4.320 -0.002 0.000 0.217 313 A C 1.967 179.564 177.584 0.022 0.000 1.186 313 A CA 1.987 53.997 52.037 -0.046 0.000 0.624 313 A CB -0.984 17.991 19.000 -0.042 0.000 0.822 313 A HN 0.929 nan 8.150 nan 0.000 0.444 314 E N -0.545 119.687 120.200 0.054 0.000 2.086 314 E HA -0.324 4.024 4.350 -0.002 0.000 0.200 314 E C 2.203 178.891 176.600 0.147 0.000 1.012 314 E CA 1.874 58.350 56.400 0.127 0.000 0.812 314 E CB -0.186 29.591 29.700 0.129 0.000 0.743 314 E HN 0.779 nan 8.360 nan 0.000 0.453 315 Q N 0.065 119.939 119.800 0.123 0.000 2.020 315 Q HA -0.143 4.196 4.340 -0.002 0.000 0.202 315 Q C 2.500 178.589 176.000 0.149 0.000 0.982 315 Q CA 1.622 57.511 55.803 0.144 0.000 0.838 315 Q CB -0.117 28.712 28.738 0.152 0.000 0.899 315 Q HN 0.364 nan 8.270 nan 0.000 0.423 316 L N -0.090 121.145 121.223 0.019 0.000 2.081 316 L HA -0.284 4.054 4.340 -0.002 0.000 0.212 316 L C 2.585 179.604 176.870 0.249 0.000 1.080 316 L CA 1.506 56.281 54.840 -0.108 0.000 0.754 316 L CB -0.756 40.884 42.059 -0.698 0.000 0.893 316 L HN 0.479 nan 8.230 nan 0.000 0.433 317 H N 0.087 119.231 119.070 0.124 0.000 2.321 317 H HA -0.192 4.363 4.556 -0.002 0.000 0.300 317 H C 2.267 177.729 175.328 0.223 0.000 1.087 317 H CA 1.738 57.900 56.048 0.190 0.000 1.319 317 H CB 0.194 30.022 29.762 0.111 0.000 1.379 317 H HN 0.420 nan 8.280 nan 0.000 0.501 318 Q N -0.291 119.506 119.800 -0.005 0.000 2.077 318 Q HA -0.208 4.130 4.340 -0.002 0.000 0.206 318 Q C 2.284 178.355 176.000 0.118 0.000 0.989 318 Q CA 2.012 57.783 55.803 -0.053 0.000 0.853 318 Q CB -0.284 28.479 28.738 0.042 0.000 0.907 318 Q HN 0.447 nan 8.270 nan 0.000 0.418 319 F N 0.814 120.862 119.950 0.163 0.000 2.126 319 F HA -0.225 4.301 4.527 -0.002 0.000 0.299 319 F C 2.081 178.065 175.800 0.307 0.000 1.096 319 F CA 1.455 59.631 58.000 0.293 0.000 1.255 319 F CB -0.370 38.857 39.000 0.379 0.000 0.997 319 F HN 0.017 nan 8.300 nan 0.000 0.479 320 A N 0.044 123.209 122.820 0.574 0.000 1.898 320 A HA -0.152 4.166 4.320 -0.002 0.000 0.216 320 A C 2.144 179.891 177.584 0.272 0.000 1.181 320 A CA 1.641 54.004 52.037 0.544 0.000 0.620 320 A CB -0.752 18.670 19.000 0.704 0.000 0.819 320 A HN 0.422 nan 8.150 nan 0.000 0.442 321 E N -0.634 119.659 120.200 0.154 0.000 2.110 321 E HA -0.178 4.171 4.350 -0.002 0.000 0.193 321 E C 2.112 178.651 176.600 -0.101 0.000 0.988 321 E CA 1.138 57.554 56.400 0.026 0.000 0.804 321 E CB -0.814 28.829 29.700 -0.095 0.000 0.745 321 E HN 0.640 nan 8.360 nan 0.000 0.458 322 C N -0.365 118.792 119.300 -0.239 0.000 2.440 322 C HA -0.078 4.381 4.460 -0.002 0.000 0.278 322 C C 1.829 176.359 174.990 -0.766 0.000 1.295 322 C CA 0.344 59.017 59.018 -0.576 0.000 1.738 322 C CB -0.995 26.239 27.740 -0.844 0.000 1.987 322 C HN 0.234 nan 8.230 nan 0.000 0.492 323 F N 0.301 120.093 119.950 -0.263 0.000 2.668 323 F HA 0.364 4.889 4.527 -0.003 0.000 0.301 323 F C 1.928 177.735 175.800 0.010 0.000 1.106 323 F CA -0.157 57.722 58.000 -0.201 0.000 1.289 323 F CB -0.612 38.120 39.000 -0.447 0.000 1.006 323 F HN 0.119 nan 8.300 nan 0.000 0.535 324 R N 1.659 122.242 120.500 0.138 0.000 2.091 324 R HA -0.216 4.123 4.340 -0.002 0.000 0.238 324 R C 2.186 178.541 176.300 0.091 0.000 1.136 324 R CA 2.270 58.451 56.100 0.134 0.000 0.959 324 R CB -0.255 30.099 30.300 0.089 0.000 0.856 324 R HN 0.514 nan 8.270 nan 0.000 0.437 325 Q N 0.198 120.022 119.800 0.040 0.000 2.297 325 Q HA -0.094 4.244 4.340 -0.002 0.000 0.208 325 Q C 1.355 177.387 176.000 0.054 0.000 0.981 325 Q CA 1.677 57.495 55.803 0.025 0.000 0.876 325 Q CB -0.110 28.617 28.738 -0.018 0.000 0.921 325 Q HN 0.424 nan 8.270 nan 0.000 0.446 326 V N -2.814 117.162 119.914 0.103 0.000 3.177 326 V HA 0.336 4.455 4.120 -0.002 0.000 0.342 326 V C -0.616 175.560 176.094 0.136 0.000 1.379 326 V CA -0.208 62.162 62.300 0.116 0.000 1.191 326 V CB -0.928 30.984 31.823 0.149 0.000 1.167 326 V HN 0.373 nan 8.190 nan 0.000 0.471 327 N N -0.578 118.198 118.700 0.128 0.000 2.815 327 N HA -0.215 4.524 4.740 -0.002 0.000 0.249 327 N C -0.490 175.106 175.510 0.144 0.000 1.114 327 N CA 0.903 54.017 53.050 0.106 0.000 0.717 327 N CB -1.977 36.552 38.487 0.070 0.000 1.074 327 N HN 0.773 nan 8.380 nan 0.000 0.555 328 F N 1.629 121.613 119.950 0.056 0.000 2.444 328 F HA 0.274 4.800 4.527 -0.002 0.000 0.360 328 F C 0.563 176.338 175.800 -0.042 0.000 1.106 328 F CA -0.905 57.107 58.000 0.020 0.000 1.170 328 F CB 0.454 39.484 39.000 0.050 0.000 1.113 328 F HN 0.029 nan 8.300 nan 0.000 0.521 329 D N 4.704 124.664 120.400 -0.734 0.000 2.317 329 D HA 0.033 4.672 4.640 -0.002 0.000 0.252 329 D C 0.958 176.639 176.300 -1.032 0.000 1.174 329 D CA -0.223 53.402 54.000 -0.624 0.000 0.866 329 D CB 0.569 41.129 40.800 -0.400 0.000 1.127 329 D HN 0.687 nan 8.370 nan 0.000 0.467 330 N N 3.537 121.922 118.700 -0.524 0.000 2.520 330 N HA -0.157 4.581 4.740 -0.002 0.000 0.185 330 N C 0.906 176.276 175.510 -0.233 0.000 1.068 330 N CA 0.776 53.629 53.050 -0.329 0.000 0.911 330 N CB 0.110 38.684 38.487 0.145 0.000 0.961 330 N HN 0.155 nan 8.380 nan 0.000 0.446 331 K N -0.038 120.213 120.400 -0.248 0.000 2.439 331 K HA 0.019 4.338 4.320 -0.002 0.000 0.197 331 K C 1.390 177.881 176.600 -0.181 0.000 1.041 331 K CA 1.147 57.350 56.287 -0.140 0.000 0.970 331 K CB -0.515 31.916 32.500 -0.114 0.000 0.773 331 K HN 0.653 nan 8.250 nan 0.000 0.479 332 T N -1.791 112.528 114.554 -0.391 0.000 3.113 332 T HA 0.053 4.401 4.350 -0.002 0.000 0.256 332 T C 1.004 175.547 174.700 -0.261 0.000 1.131 332 T CA -0.181 61.688 62.100 -0.384 0.000 1.074 332 T CB -0.220 68.272 68.868 -0.627 0.000 0.944 332 T HN -0.215 nan 8.240 nan 0.000 0.516 336 C N -0.476 118.824 119.300 0.000 0.000 3.171 336 C HA 0.905 5.363 4.460 -0.002 0.000 0.308 336 C C -1.592 173.355 174.990 -0.073 0.000 1.334 336 C CA -0.943 58.001 59.018 -0.124 0.000 1.473 336 C CB 1.573 29.145 27.740 -0.281 0.000 1.866 336 C HN 0.699 nan 8.230 nan 0.000 0.465 337 Y N 0.514 120.623 120.300 -0.318 0.000 2.512 337 Y HA 0.841 5.389 4.550 -0.002 0.000 0.348 337 Y C -0.053 175.709 175.900 -0.230 0.000 0.990 337 Y CA 0.460 58.436 58.100 -0.208 0.000 1.033 337 Y CB 1.942 40.309 38.460 -0.155 0.000 1.259 337 Y HN 1.552 nan 8.280 nan 0.000 0.461 338 G N 3.881 112.187 108.800 -0.823 0.000 2.495 338 G HA2 0.591 4.550 3.960 -0.002 0.000 0.294 338 G HA3 0.591 4.550 3.960 -0.002 0.000 0.294 338 G C -2.261 172.308 174.900 -0.553 0.000 1.397 338 G CA -0.477 44.196 45.100 -0.712 0.000 0.790 338 G HN 1.174 nan 8.290 nan 0.000 0.486 339 L N -3.583 117.442 121.223 -0.328 0.000 2.720 339 L HA 0.837 5.175 4.340 -0.002 0.000 0.261 339 L C 1.044 177.867 176.870 -0.078 0.000 1.046 339 L CA -0.574 54.171 54.840 -0.159 0.000 0.886 339 L CB 1.123 43.110 42.059 -0.120 0.000 1.493 339 L HN 1.055 nan 8.230 nan 0.000 0.407 340 A N -0.386 122.426 122.820 -0.013 0.000 1.969 340 A HA -0.037 4.282 4.320 -0.002 0.000 0.218 340 A C 1.572 179.158 177.584 0.004 0.000 1.169 340 A CA 1.630 53.684 52.037 0.030 0.000 0.635 340 A CB -0.685 18.360 19.000 0.076 0.000 0.810 340 A HN 0.919 nan 8.150 nan 0.000 0.445 341 E N 0.072 120.262 120.200 -0.016 0.000 2.510 341 E HA -0.068 4.281 4.350 -0.002 0.000 0.202 341 E C 1.006 177.564 176.600 -0.071 0.000 1.072 341 E CA 0.542 56.903 56.400 -0.066 0.000 0.883 341 E CB -0.189 29.474 29.700 -0.062 0.000 0.818 341 E HN 0.671 nan 8.360 nan 0.000 0.548 342 N N -1.168 117.499 118.700 -0.056 0.000 2.433 342 N HA 0.167 4.905 4.740 -0.002 0.000 0.270 342 N C 0.201 175.695 175.510 -0.027 0.000 1.354 342 N CA 0.572 53.593 53.050 -0.049 0.000 0.889 342 N CB 0.307 38.752 38.487 -0.071 0.000 1.285 342 N HN 0.060 nan 8.380 nan 0.000 0.503 343 A N 0.330 123.147 122.820 -0.004 0.000 1.344 343 A HA -0.259 4.060 4.320 -0.002 0.000 0.222 343 A C 0.740 178.359 177.584 0.058 0.000 0.391 343 A CA 1.855 53.928 52.037 0.060 0.000 1.096 343 A CB -1.342 17.701 19.000 0.072 0.000 1.468 343 A HN 0.422 nan 8.150 nan 0.000 0.722 344 L N -4.030 117.194 121.223 0.003 0.000 1.589 344 L HA 0.564 4.902 4.340 -0.002 0.000 0.094 344 L C 0.763 177.570 176.870 -0.105 0.000 1.503 344 L CA 0.696 55.521 54.840 -0.024 0.000 1.083 344 L CB -0.296 41.775 42.059 0.019 0.000 2.178 344 L HN 1.280 nan 8.230 nan 0.000 0.449 345 A N 0.030 122.800 122.820 -0.083 0.000 2.304 345 A HA 0.559 4.878 4.320 -0.002 0.000 0.301 345 A C 0.266 177.715 177.584 -0.224 0.000 1.132 345 A CA -0.072 51.861 52.037 -0.174 0.000 0.819 345 A CB 1.697 20.721 19.000 0.041 0.000 1.094 345 A HN 0.164 nan 8.150 nan 0.000 0.492 346 V N 0.815 120.533 119.914 -0.327 0.000 3.350 346 V HA 0.203 4.322 4.120 -0.002 0.000 0.246 346 V C 0.528 176.554 176.094 -0.114 0.000 1.363 346 V CA 1.353 63.525 62.300 -0.215 0.000 1.162 346 V CB 0.511 32.187 31.823 -0.245 0.000 0.947 346 V HN 1.199 nan 8.190 nan 0.000 0.454 347 S N -0.657 114.909 115.700 -0.224 0.000 2.567 347 S HA 0.763 5.232 4.470 -0.002 0.000 0.270 347 S C -1.485 172.896 174.600 -0.364 0.000 1.152 347 S CA -0.548 57.592 58.200 -0.100 0.000 0.835 347 S CB 2.079 65.302 63.200 0.040 0.000 1.115 347 S HN 0.003 nan 8.310 nan 0.000 0.459 348 F N 0.704 120.682 119.950 0.046 0.000 2.578 348 F HA 0.705 5.231 4.527 -0.003 0.000 0.311 348 F C 0.767 176.587 175.800 0.034 0.000 1.094 348 F CA -0.651 57.373 58.000 0.040 0.000 0.923 348 F CB 2.311 41.332 39.000 0.034 0.000 1.230 348 F HN 0.739 nan 8.300 nan 0.000 0.450 349 S N 0.880 116.684 115.700 0.173 0.000 2.589 349 S HA 0.089 4.557 4.470 -0.002 0.000 0.265 349 S C -0.171 174.493 174.600 0.106 0.000 1.342 349 S CA -0.672 57.571 58.200 0.071 0.000 1.005 349 S CB 0.253 63.456 63.200 0.005 0.000 0.909 349 S HN 0.535 nan 8.310 nan 0.000 0.555 350 D N 1.745 122.179 120.400 0.056 0.000 2.362 350 D HA 0.058 4.697 4.640 -0.002 0.000 0.238 350 D C 0.343 176.670 176.300 0.046 0.000 1.212 350 D CA 0.271 54.313 54.000 0.070 0.000 0.902 350 D CB 0.222 41.059 40.800 0.062 0.000 1.180 350 D HN 0.592 nan 8.370 nan 0.000 0.445 351 E N -0.407 119.812 120.200 0.031 0.000 2.392 351 E HA 0.220 4.568 4.350 -0.002 0.000 0.264 351 E C -0.058 176.545 176.600 0.006 0.000 1.024 351 E CA -0.154 56.254 56.400 0.012 0.000 0.903 351 E CB 0.380 30.079 29.700 -0.002 0.000 0.963 351 E HN 0.481 nan 8.360 nan 0.000 0.432 352 A N 2.998 125.815 122.820 -0.005 0.000 2.704 352 A HA -0.251 4.068 4.320 -0.002 0.000 0.299 352 A C 1.144 178.719 177.584 -0.015 0.000 1.507 352 A CA 1.265 53.290 52.037 -0.021 0.000 0.776 352 A CB -2.282 16.703 19.000 -0.024 0.000 1.027 352 A HN 0.685 nan 8.150 nan 0.000 0.475 353 S N -1.105 114.594 115.700 -0.002 0.000 2.470 353 S HA 0.453 4.921 4.470 -0.002 0.000 0.222 353 S C 1.925 176.528 174.600 0.006 0.000 1.024 353 S CA 1.060 59.258 58.200 -0.004 0.000 0.931 353 S CB -0.369 62.822 63.200 -0.014 0.000 0.791 353 S HN 2.640 nan 8.310 nan 0.000 0.513 354 G N 1.019 109.838 108.800 0.032 0.000 2.806 354 G HA2 -0.187 3.771 3.960 -0.002 0.000 0.236 354 G HA3 -0.187 3.771 3.960 -0.002 0.000 0.236 354 G C -0.413 174.534 174.900 0.079 0.000 1.387 354 G CA -0.476 44.681 45.100 0.096 0.000 0.884 354 G HN 0.933 nan 8.290 nan 0.000 0.560 355 V N 0.070 120.033 119.914 0.081 0.000 2.521 355 V HA 0.375 4.494 4.120 -0.002 0.000 0.286 355 V C 0.985 177.068 176.094 -0.019 0.000 1.034 355 V CA -0.155 62.132 62.300 -0.021 0.000 1.045 355 V CB 1.091 32.851 31.823 -0.106 0.000 0.974 355 V HN 0.793 nan 8.190 nan 0.000 0.480 356 V N 6.261 126.154 119.914 -0.035 0.000 2.459 356 V HA 0.567 4.686 4.120 -0.002 0.000 0.295 356 V C -0.060 176.056 176.094 0.036 0.000 1.029 356 V CA -0.476 61.808 62.300 -0.026 0.000 0.874 356 V CB 1.883 33.653 31.823 -0.088 0.000 0.985 356 V HN 0.769 nan 8.190 nan 0.000 0.438 357 V N 1.874 121.815 119.914 0.046 0.000 2.815 357 V HA 0.684 4.803 4.120 -0.002 0.000 0.314 357 V C -0.438 175.686 176.094 0.050 0.000 1.064 357 V CA -0.739 61.605 62.300 0.073 0.000 0.952 357 V CB 2.078 33.903 31.823 0.003 0.000 1.020 357 V HN 0.852 nan 8.190 nan 0.000 0.439 358 N N 1.843 120.536 118.700 -0.011 0.000 2.399 358 N HA 0.363 5.101 4.740 -0.002 0.000 0.280 358 N C -0.833 174.625 175.510 -0.086 0.000 1.008 358 N CA -0.394 52.572 53.050 -0.140 0.000 0.894 358 N CB 2.239 40.424 38.487 -0.503 0.000 1.273 358 N HN 0.912 nan 8.380 nan 0.000 0.486 359 E N 1.311 121.463 120.200 -0.080 0.000 2.277 359 E HA 0.388 4.736 4.350 -0.002 0.000 0.274 359 E C -0.389 176.162 176.600 -0.082 0.000 1.022 359 E CA -0.788 55.557 56.400 -0.090 0.000 0.853 359 E CB 2.001 31.649 29.700 -0.087 0.000 1.086 359 E HN 0.411 nan 8.360 nan 0.000 0.397 360 V N -0.872 118.989 119.914 -0.089 0.000 2.925 360 V HA 0.342 4.461 4.120 -0.002 0.000 0.311 360 V C -0.447 175.595 176.094 -0.087 0.000 1.104 360 V CA -1.249 60.999 62.300 -0.086 0.000 0.954 360 V CB 2.000 33.778 31.823 -0.075 0.000 1.022 360 V HN 0.580 nan 8.190 nan 0.000 0.427 361 D N 2.148 122.503 120.400 -0.075 0.000 2.412 361 D HA 0.053 4.692 4.640 -0.002 0.000 0.257 361 D C 1.099 177.371 176.300 -0.047 0.000 1.217 361 D CA 0.517 54.482 54.000 -0.058 0.000 0.897 361 D CB 1.266 42.039 40.800 -0.045 0.000 1.132 361 D HN 0.822 nan 8.370 nan 0.000 0.493 362 R N 3.432 123.905 120.500 -0.046 0.000 2.075 362 R HA -0.123 4.215 4.340 -0.002 0.000 0.232 362 R C 1.048 177.384 176.300 0.060 0.000 1.126 362 R CA 1.292 57.379 56.100 -0.021 0.000 0.963 362 R CB 0.149 30.424 30.300 -0.041 0.000 0.858 362 R HN 0.430 nan 8.270 nan 0.000 0.435 363 D N 0.604 121.054 120.400 0.083 0.000 2.178 363 D HA -0.146 4.492 4.640 -0.002 0.000 0.201 363 D C 1.906 178.340 176.300 0.224 0.000 0.980 363 D CA 1.222 55.349 54.000 0.212 0.000 0.842 363 D CB -0.031 40.843 40.800 0.125 0.000 0.948 363 D HN 0.385 nan 8.370 nan 0.000 0.472 364 I N 0.453 121.080 120.570 0.094 0.000 2.394 364 I HA -0.195 3.973 4.170 -0.002 0.000 0.251 364 I C 2.381 178.543 176.117 0.074 0.000 1.136 364 I CA 0.362 61.704 61.300 0.070 0.000 1.425 364 I CB -0.068 37.933 38.000 0.003 0.000 1.079 364 I HN -0.009 nan 8.210 nan 0.000 0.425 365 L N 1.003 122.254 121.223 0.046 0.000 2.023 365 L HA -0.155 4.184 4.340 -0.002 0.000 0.205 365 L C 2.448 179.425 176.870 0.179 0.000 1.073 365 L CA 1.798 56.652 54.840 0.024 0.000 0.745 365 L CB -0.357 41.633 42.059 -0.115 0.000 0.900 365 L HN 0.113 nan 8.230 nan 0.000 0.435 366 E N -1.401 118.929 120.200 0.217 0.000 2.077 366 E HA -0.246 4.103 4.350 -0.002 0.000 0.193 366 E C 1.933 178.546 176.600 0.021 0.000 0.989 366 E CA 1.851 58.372 56.400 0.202 0.000 0.800 366 E CB -0.200 29.552 29.700 0.085 0.000 0.746 366 E HN 0.576 nan 8.360 nan 0.000 0.452 367 Y N -0.075 120.294 120.300 0.114 0.000 2.476 367 Y HA 0.062 4.610 4.550 -0.002 0.000 0.283 367 Y C 1.531 177.465 175.900 0.056 0.000 1.109 367 Y CA 0.557 58.701 58.100 0.074 0.000 1.246 367 Y CB 0.620 39.109 38.460 0.049 0.000 1.068 367 Y HN -0.066 nan 8.280 nan 0.000 0.552 368 Q N -0.934 118.979 119.800 0.188 0.000 2.118 368 Q HA 0.243 4.582 4.340 -0.002 0.000 0.219 368 Q C 0.985 177.031 176.000 0.078 0.000 0.794 368 Q CA 0.247 56.116 55.803 0.111 0.000 1.035 368 Q CB 1.397 30.184 28.738 0.081 0.000 1.177 368 Q HN 0.381 nan 8.270 nan 0.000 0.478 369 G N 2.369 111.231 108.800 0.104 0.000 2.422 369 G HA2 -0.324 3.634 3.960 -0.002 0.000 0.301 369 G HA3 -0.324 3.634 3.960 -0.002 0.000 0.301 369 G C -0.335 174.580 174.900 0.024 0.000 0.981 369 G CA 0.878 46.038 45.100 0.101 0.000 0.994 369 G HN 0.172 nan 8.290 nan 0.000 0.514 370 K N -0.570 119.815 120.400 -0.024 0.000 2.427 370 K HA 0.673 4.992 4.320 -0.002 0.000 0.252 370 K C -0.005 176.477 176.600 -0.197 0.000 0.931 370 K CA -0.373 55.854 56.287 -0.100 0.000 0.793 370 K CB 2.187 34.652 32.500 -0.059 0.000 1.211 370 K HN 0.395 nan 8.250 nan 0.000 0.426 371 A N 2.633 125.232 122.820 -0.368 0.000 2.415 371 A HA 0.390 4.709 4.320 -0.002 0.000 0.309 371 A C -0.083 177.325 177.584 -0.293 0.000 1.356 371 A CA -0.484 51.253 52.037 -0.501 0.000 0.998 371 A CB -0.305 17.970 19.000 -1.209 0.000 1.145 371 A HN 0.514 nan 8.150 nan 0.000 0.545 372 V N 0.671 120.477 119.914 -0.180 0.000 2.919 372 V HA 0.921 5.040 4.120 -0.002 0.000 0.316 372 V C 0.306 176.343 176.094 -0.096 0.000 1.077 372 V CA -0.489 61.743 62.300 -0.114 0.000 0.977 372 V CB 1.497 33.275 31.823 -0.076 0.000 1.039 372 V HN 1.332 nan 8.190 nan 0.000 0.441 373 A N 3.974 126.752 122.820 -0.070 0.000 2.401 373 A HA 0.715 5.034 4.320 -0.002 0.000 0.259 373 A C -2.319 175.233 177.584 -0.053 0.000 1.103 373 A CA -1.392 50.610 52.037 -0.059 0.000 0.789 373 A CB -0.542 18.433 19.000 -0.042 0.000 1.035 373 A HN 0.867 nan 8.150 nan 0.000 0.491 374 P HA 0.188 nan 4.420 nan 0.000 0.261 374 P C 0.563 177.839 177.300 -0.041 0.000 1.183 374 P CA 0.725 63.795 63.100 -0.051 0.000 0.761 374 P CB 0.735 32.402 31.700 -0.055 0.000 0.785 375 G N 1.767 110.544 108.800 -0.038 0.000 2.702 375 G HA2 0.444 4.403 3.960 -0.002 0.000 0.254 375 G HA3 0.444 4.403 3.960 -0.002 0.000 0.254 375 G C 0.918 175.800 174.900 -0.030 0.000 1.380 375 G CA -0.103 44.978 45.100 -0.032 0.000 1.042 375 G HN 0.394 nan 8.290 nan 0.000 0.557 376 A N -1.079 121.725 122.820 -0.026 0.000 2.067 376 A HA 0.088 4.406 4.320 -0.002 0.000 0.219 376 A C 1.752 179.320 177.584 -0.027 0.000 1.158 376 A CA 1.622 53.644 52.037 -0.025 0.000 0.661 376 A CB -0.260 18.728 19.000 -0.021 0.000 0.801 376 A HN 0.637 nan 8.150 nan 0.000 0.452 377 E N -0.453 119.729 120.200 -0.029 0.000 2.481 377 E HA 0.059 4.408 4.350 -0.002 0.000 0.198 377 E C -0.344 176.234 176.600 -0.037 0.000 1.027 377 E CA -0.176 56.205 56.400 -0.032 0.000 0.900 377 E CB 0.058 29.739 29.700 -0.032 0.000 0.993 377 E HN 0.288 nan 8.360 nan 0.000 0.482 378 T N 1.569 116.101 114.554 -0.038 0.000 2.867 378 T HA 0.087 4.435 4.350 -0.002 0.000 0.297 378 T C 0.979 175.652 174.700 -0.046 0.000 0.989 378 T CA 0.338 62.413 62.100 -0.043 0.000 1.159 378 T CB 0.794 69.634 68.868 -0.045 0.000 0.928 378 T HN 0.115 nan 8.240 nan 0.000 0.538 379 R N 1.270 121.740 120.500 -0.050 0.000 2.307 379 R HA 0.404 4.743 4.340 -0.002 0.000 0.200 379 R C 0.474 176.731 176.300 -0.071 0.000 0.893 379 R CA 0.009 56.076 56.100 -0.055 0.000 1.042 379 R CB 0.683 30.951 30.300 -0.054 0.000 1.059 379 R HN 0.622 nan 8.270 nan 0.000 0.530 380 A N 0.585 123.359 122.820 -0.076 0.000 2.498 380 A HA 0.656 4.975 4.320 -0.002 0.000 0.298 380 A C -1.186 176.341 177.584 -0.096 0.000 1.075 380 A CA -0.513 51.463 52.037 -0.102 0.000 0.714 380 A CB 2.115 21.036 19.000 -0.131 0.000 1.299 380 A HN -0.060 nan 8.150 nan 0.000 0.407 381 V N 0.887 120.730 119.914 -0.119 0.000 2.686 381 V HA 0.604 4.723 4.120 -0.002 0.000 0.306 381 V C -0.014 175.967 176.094 -0.188 0.000 1.065 381 V CA -0.529 61.692 62.300 -0.132 0.000 0.894 381 V CB 1.938 33.688 31.823 -0.121 0.000 1.004 381 V HN 0.882 nan 8.190 nan 0.000 0.424 382 S N 2.010 117.572 115.700 -0.230 0.000 2.549 382 S HA 0.687 5.155 4.470 -0.002 0.000 0.297 382 S C -0.096 174.212 174.600 -0.486 0.000 1.115 382 S CA -0.451 57.503 58.200 -0.409 0.000 1.059 382 S CB 1.751 64.643 63.200 -0.514 0.000 1.046 382 S HN 0.802 nan 8.310 nan 0.000 0.506 383 T N 3.379 117.580 114.554 -0.588 0.000 2.779 383 T HA 0.586 4.934 4.350 -0.002 0.000 0.280 383 T C -1.038 173.291 174.700 -0.618 0.000 0.987 383 T CA -0.184 61.651 62.100 -0.441 0.000 0.966 383 T CB 0.118 68.831 68.868 -0.259 0.000 0.933 383 T HN 0.316 nan 8.240 nan 0.000 0.442 384 F N 1.473 121.393 119.950 -0.050 0.000 2.522 384 F HA 0.571 5.097 4.527 -0.002 0.000 0.324 384 F C 0.111 175.988 175.800 0.129 0.000 1.077 384 F CA -1.182 56.836 58.000 0.031 0.000 0.944 384 F CB 1.385 40.430 39.000 0.075 0.000 1.175 384 F HN 0.180 nan 8.300 nan 0.000 0.468 385 V N 2.575 122.682 119.914 0.321 0.000 2.465 385 V HA 0.163 4.282 4.120 -0.002 0.000 0.279 385 V C 0.182 176.367 176.094 0.152 0.000 1.045 385 V CA -0.993 61.422 62.300 0.192 0.000 0.938 385 V CB 1.175 33.027 31.823 0.050 0.000 0.986 385 V HN 0.664 nan 8.190 nan 0.000 0.467 386 N N 3.123 121.855 118.700 0.054 0.000 2.438 386 N HA 0.012 4.751 4.740 -0.002 0.000 0.267 386 N C 0.292 175.603 175.510 -0.330 0.000 1.222 386 N CA 0.108 52.894 53.050 -0.439 0.000 0.930 386 N CB 0.882 39.166 38.487 -0.338 0.000 1.083 386 N HN 0.765 nan 8.380 nan 0.000 0.476 387 C N 2.666 121.731 119.300 -0.392 0.000 2.884 387 C HA 0.478 4.937 4.460 -0.002 0.000 0.287 387 C C 1.081 176.011 174.990 -0.100 0.000 1.310 387 C CA 0.264 59.166 59.018 -0.192 0.000 1.725 387 C CB -1.376 26.255 27.740 -0.182 0.000 2.060 387 C HN 0.930 nan 8.230 nan 0.000 0.618 388 G N 1.338 110.097 108.800 -0.069 0.000 2.631 388 G HA2 -0.043 3.916 3.960 -0.002 0.000 0.504 388 G HA3 -0.043 3.916 3.960 -0.002 0.000 0.504 388 G C -1.027 174.000 174.900 0.211 0.000 1.306 388 G CA -0.854 44.336 45.100 0.150 0.000 0.897 388 G HN 0.344 nan 8.290 nan 0.000 0.520 389 K N -0.050 120.465 120.400 0.192 0.000 2.211 389 K HA 0.765 5.084 4.320 -0.002 0.000 0.237 389 K C 0.736 177.378 176.600 0.070 0.000 1.002 389 K CA -0.184 56.130 56.287 0.046 0.000 0.885 389 K CB 1.770 34.217 32.500 -0.087 0.000 1.136 389 K HN 1.258 nan 8.250 nan 0.000 0.448 390 A N 1.387 124.241 122.820 0.057 0.000 2.520 390 A HA 0.099 4.417 4.320 -0.002 0.000 0.235 390 A C 0.096 177.744 177.584 0.107 0.000 1.065 390 A CA -0.023 52.070 52.037 0.094 0.000 0.764 390 A CB -0.277 18.789 19.000 0.110 0.000 1.002 390 A HN 0.564 nan 8.150 nan 0.000 0.502 391 L N 2.373 123.671 121.223 0.125 0.000 2.436 391 L HA 0.254 4.592 4.340 -0.002 0.000 0.265 391 L C -1.904 175.102 176.870 0.227 0.000 1.168 391 L CA -1.731 53.199 54.840 0.150 0.000 0.815 391 L CB 0.213 42.305 42.059 0.054 0.000 1.109 391 L HN 0.441 nan 8.230 nan 0.000 0.462 392 P HA -0.051 nan 4.420 nan 0.000 0.260 392 P C -0.129 177.268 177.300 0.162 0.000 1.172 392 P CA 0.579 63.766 63.100 0.145 0.000 0.760 392 P CB 0.308 32.079 31.700 0.119 0.000 0.773 393 E N -0.854 119.360 120.200 0.023 0.000 4.028 393 E HA -0.225 4.124 4.350 -0.002 0.000 0.343 393 E C 0.034 176.445 176.600 -0.315 0.000 0.700 393 E CA 0.814 57.126 56.400 -0.147 0.000 1.288 393 E CB -1.220 28.355 29.700 -0.208 0.000 1.677 393 E HN 0.705 nan 8.360 nan 0.000 0.424 394 H N -0.446 118.615 119.070 -0.015 0.000 2.529 394 H HA 0.567 5.122 4.556 -0.002 0.000 0.348 394 H C 0.528 175.854 175.328 -0.004 0.000 1.152 394 H CA 0.039 56.069 56.048 -0.030 0.000 1.202 394 H CB 1.921 31.684 29.762 0.001 0.000 1.562 394 H HN 0.117 nan 8.280 nan 0.000 0.515 395 G N 1.365 110.215 108.800 0.083 0.000 2.420 395 G HA2 0.569 4.528 3.960 -0.002 0.000 0.331 395 G HA3 0.569 4.528 3.960 -0.002 0.000 0.331 395 G C -0.700 174.384 174.900 0.307 0.000 1.168 395 G CA -0.552 44.653 45.100 0.175 0.000 0.936 395 G HN 0.508 nan 8.290 nan 0.000 0.479 396 I N 0.697 121.449 120.570 0.303 0.000 2.499 396 I HA 0.406 4.574 4.170 -0.002 0.000 0.288 396 I C -0.593 175.644 176.117 0.199 0.000 1.048 396 I CA -0.516 60.947 61.300 0.272 0.000 1.062 396 I CB 2.443 40.542 38.000 0.166 0.000 1.238 396 I HN 0.543 nan 8.210 nan 0.000 0.426 397 E N 6.643 126.919 120.200 0.127 0.000 2.292 397 E HA 0.485 4.833 4.350 -0.002 0.000 0.272 397 E C -1.551 175.015 176.600 -0.058 0.000 0.881 397 E CA -0.708 55.668 56.400 -0.041 0.000 0.754 397 E CB 2.063 31.586 29.700 -0.294 0.000 1.201 397 E HN 0.363 nan 8.360 nan 0.000 0.425 398 I N 4.184 124.730 120.570 -0.040 0.000 2.315 398 I HA 0.389 4.557 4.170 -0.002 0.000 0.291 398 I C 0.151 176.234 176.117 -0.057 0.000 1.006 398 I CA -0.270 61.022 61.300 -0.013 0.000 1.265 398 I CB 0.740 38.761 38.000 0.034 0.000 1.387 398 I HN 0.540 nan 8.210 nan 0.000 0.475 399 R N 4.289 124.749 120.500 -0.066 0.000 2.854 399 R HA 0.426 4.764 4.340 -0.002 0.000 0.271 399 R C -0.098 176.098 176.300 -0.173 0.000 0.996 399 R CA -0.899 55.122 56.100 -0.131 0.000 0.961 399 R CB 1.795 31.983 30.300 -0.187 0.000 1.182 399 R HN 0.630 nan 8.270 nan 0.000 0.479 400 N N 0.258 118.839 118.700 -0.199 0.000 2.495 400 N HA -0.001 4.737 4.740 -0.002 0.000 0.294 400 N C 0.700 175.969 175.510 -0.402 0.000 1.276 400 N CA -0.386 52.522 53.050 -0.238 0.000 0.973 400 N CB 0.198 38.608 38.487 -0.128 0.000 1.143 400 N HN 0.505 nan 8.380 nan 0.000 0.589 401 E N -0.203 119.818 120.200 -0.298 0.000 2.048 401 E HA -0.172 4.177 4.350 -0.002 0.000 0.202 401 E C 1.767 178.257 176.600 -0.184 0.000 1.021 401 E CA 2.600 58.857 56.400 -0.239 0.000 0.825 401 E CB -0.958 28.685 29.700 -0.095 0.000 0.756 401 E HN 0.688 nan 8.360 nan 0.000 0.454 402 A N -0.614 122.128 122.820 -0.131 0.000 2.070 402 A HA 0.266 4.584 4.320 -0.002 0.000 0.220 402 A C 1.235 178.758 177.584 -0.102 0.000 1.159 402 A CA 1.537 53.518 52.037 -0.092 0.000 0.656 402 A CB -0.742 18.216 19.000 -0.070 0.000 0.800 402 A HN 0.515 nan 8.150 nan 0.000 0.453 406 V N -0.868 119.015 119.914 -0.053 0.000 3.193 406 V HA 1.005 5.124 4.120 -0.002 0.000 0.320 406 V C 0.408 176.497 176.094 -0.008 0.000 1.112 406 V CA -0.546 61.738 62.300 -0.027 0.000 1.026 406 V CB 1.370 33.183 31.823 -0.017 0.000 1.128 406 V HN 0.826 nan 8.190 nan 0.000 0.452 407 A N 0.175 122.996 122.820 0.002 0.000 2.249 407 A HA 0.473 4.792 4.320 -0.002 0.000 0.281 407 A C 0.332 177.938 177.584 0.036 0.000 1.127 407 A CA -0.557 51.488 52.037 0.013 0.000 0.833 407 A CB -0.145 18.860 19.000 0.008 0.000 1.140 407 A HN 0.955 nan 8.150 nan 0.000 0.502 408 E N -0.381 119.847 120.200 0.047 0.000 2.415 408 E HA 0.177 4.526 4.350 -0.002 0.000 0.262 408 E C -0.028 176.615 176.600 0.073 0.000 1.038 408 E CA 0.299 56.749 56.400 0.084 0.000 0.921 408 E CB 0.208 29.958 29.700 0.084 0.000 0.950 408 E HN 0.600 nan 8.360 nan 0.000 0.438 409 R N -0.981 119.593 120.500 0.124 0.000 3.840 409 R HA -0.168 4.170 4.340 -0.002 0.000 0.464 409 R C -0.601 175.644 176.300 -0.091 0.000 0.986 409 R CA 0.419 56.503 56.100 -0.026 0.000 1.305 409 R CB -1.845 28.417 30.300 -0.064 0.000 1.950 409 R HN 0.240 nan 8.270 nan 0.000 0.526 410 V N 2.379 122.300 119.914 0.011 0.000 2.383 410 V HA 0.257 4.375 4.120 -0.002 0.000 0.275 410 V C 0.848 176.976 176.094 0.057 0.000 1.036 410 V CA -0.466 61.838 62.300 0.006 0.000 0.889 410 V CB 1.731 33.563 31.823 0.015 0.000 0.985 410 V HN -0.009 nan 8.190 nan 0.000 0.459 411 V N 5.198 125.136 119.914 0.040 0.000 2.614 411 V HA 0.792 4.910 4.120 -0.002 0.000 0.291 411 V C 0.852 177.021 176.094 0.126 0.000 1.049 411 V CA 0.798 63.166 62.300 0.114 0.000 1.038 411 V CB 0.861 32.758 31.823 0.124 0.000 0.980 411 V HN 1.086 nan 8.190 nan 0.000 0.481 412 G N 2.607 111.498 108.800 0.152 0.000 2.561 412 G HA2 0.431 4.389 3.960 -0.002 0.000 0.310 412 G HA3 0.431 4.389 3.960 -0.002 0.000 0.310 412 G C -1.501 173.555 174.900 0.260 0.000 1.292 412 G CA -0.901 44.308 45.100 0.181 0.000 0.811 412 G HN 0.589 nan 8.290 nan 0.000 0.482 413 H N 0.246 119.327 119.070 0.018 0.000 2.975 413 H HA 0.309 4.863 4.556 -0.002 0.000 0.303 413 H C 0.661 176.000 175.328 0.019 0.000 1.023 413 H CA -0.307 55.753 56.048 0.020 0.000 1.473 413 H CB 0.257 30.023 29.762 0.008 0.000 1.498 413 H HN 0.294 nan 8.280 nan 0.000 0.549 414 I N 4.065 124.719 120.570 0.140 0.000 2.505 414 I HA -0.017 4.151 4.170 -0.002 0.000 0.287 414 I C 0.033 176.244 176.117 0.157 0.000 1.104 414 I CA 0.260 61.630 61.300 0.117 0.000 1.387 414 I CB -0.003 38.057 38.000 0.099 0.000 1.404 414 I HN 0.438 nan 8.210 nan 0.000 0.528 415 C N 7.557 126.941 119.300 0.141 0.000 2.382 415 C HA 0.668 5.127 4.460 -0.002 0.000 0.327 415 C C 0.273 175.509 174.990 0.409 0.000 1.250 415 C CA -0.701 58.443 59.018 0.210 0.000 1.707 415 C CB 0.520 28.279 27.740 0.032 0.000 2.272 415 C HN 0.666 nan 8.230 nan 0.000 0.506 416 I N 1.268 122.117 120.570 0.464 0.000 2.957 416 I HA 0.968 5.137 4.170 -0.002 0.000 0.310 416 I C -0.181 176.066 176.117 0.217 0.000 1.063 416 I CA -0.195 61.331 61.300 0.377 0.000 1.033 416 I CB 2.174 40.288 38.000 0.189 0.000 1.230 416 I HN 0.697 nan 8.210 nan 0.000 0.447 417 S N 1.636 117.281 115.700 -0.091 0.000 2.578 417 S HA 0.919 5.388 4.470 -0.002 0.000 0.272 417 S C -0.502 173.950 174.600 -0.247 0.000 1.145 417 S CA -0.088 57.855 58.200 -0.428 0.000 0.835 417 S CB 1.171 63.557 63.200 -1.357 0.000 1.104 417 S HN 2.319 nan 8.310 nan 0.000 0.458 418 G N 1.126 109.764 108.800 -0.270 0.000 2.371 418 G HA2 0.253 4.212 3.960 -0.002 0.000 0.663 418 G HA3 0.253 4.212 3.960 -0.002 0.000 0.663 418 G C -2.862 171.930 174.900 -0.180 0.000 1.311 418 G CA -0.101 44.828 45.100 -0.285 0.000 0.985 418 G HN 0.658 nan 8.290 nan 0.000 0.566 419 P HA -0.003 nan 4.420 nan 0.000 0.218 419 P C 1.967 179.287 177.300 0.033 0.000 1.148 419 P CA 2.026 65.068 63.100 -0.097 0.000 0.822 419 P CB 0.059 31.692 31.700 -0.111 0.000 0.784 420 S N -0.792 115.025 115.700 0.196 0.000 2.423 420 S HA -0.034 4.435 4.470 -0.002 0.000 0.231 420 S C 1.139 175.763 174.600 0.039 0.000 1.014 420 S CA 0.178 58.462 58.200 0.140 0.000 0.965 420 S CB -0.783 62.504 63.200 0.146 0.000 0.785 420 S HN 0.102 nan 8.310 nan 0.000 0.495 424 G N 0.631 109.322 108.800 -0.182 0.000 2.369 424 G HA2 0.306 4.265 3.960 -0.002 0.000 0.295 424 G HA3 0.306 4.265 3.960 -0.002 0.000 0.295 424 G C -2.033 172.716 174.900 -0.252 0.000 1.298 424 G CA -1.005 43.951 45.100 -0.241 0.000 0.940 424 G HN 0.100 nan 8.290 nan 0.000 0.536 425 Y N -0.200 120.090 120.300 -0.016 0.000 2.319 425 Y HA 0.510 5.059 4.550 -0.002 0.000 0.328 425 Y C 0.898 176.815 175.900 0.028 0.000 1.133 425 Y CA -0.533 57.564 58.100 -0.005 0.000 1.265 425 Y CB 0.904 39.361 38.460 -0.005 0.000 1.218 425 Y HN 0.515 nan 8.280 nan 0.000 0.508 426 F N 3.170 123.163 119.950 0.073 0.000 2.571 426 F HA 0.297 4.823 4.527 -0.002 0.000 0.390 426 F C 1.205 177.049 175.800 0.073 0.000 1.043 426 F CA 1.552 59.577 58.000 0.041 0.000 1.164 426 F CB -0.091 38.925 39.000 0.026 0.000 1.049 426 F HN 0.793 nan 8.300 nan 0.000 0.552 427 G N 3.745 112.230 108.800 -0.525 0.000 2.299 427 G HA2 -0.299 3.659 3.960 -0.002 0.000 0.237 427 G HA3 -0.299 3.659 3.960 -0.002 0.000 0.237 427 G C 0.147 174.974 174.900 -0.121 0.000 1.027 427 G CA 0.085 44.974 45.100 -0.352 0.000 0.619 427 G HN 0.752 nan 8.290 nan 0.000 0.513 428 D N 1.132 121.520 120.400 -0.020 0.000 2.342 428 D HA 0.387 5.025 4.640 -0.002 0.000 0.260 428 D C 1.437 177.737 176.300 0.001 0.000 1.278 428 D CA 0.065 54.085 54.000 0.033 0.000 0.910 428 D CB 1.173 42.056 40.800 0.138 0.000 1.079 428 D HN 0.376 nan 8.370 nan 0.000 0.496 429 Q N 3.030 122.822 119.800 -0.014 0.000 2.049 429 Q HA -0.093 4.245 4.340 -0.002 0.000 0.198 429 Q C 1.778 177.776 176.000 -0.003 0.000 0.971 429 Q CA 1.251 57.042 55.803 -0.020 0.000 0.833 429 Q CB -0.101 28.623 28.738 -0.024 0.000 0.896 429 Q HN 0.440 nan 8.270 nan 0.000 0.434 430 V N 0.359 120.281 119.914 0.012 0.000 2.252 430 V HA -0.317 3.802 4.120 -0.002 0.000 0.249 430 V C 2.356 178.466 176.094 0.027 0.000 1.056 430 V CA 2.080 64.392 62.300 0.020 0.000 1.022 430 V CB -1.390 30.450 31.823 0.029 0.000 0.641 430 V HN 0.529 nan 8.190 nan 0.000 0.445 431 S N -0.714 115.016 115.700 0.050 0.000 2.370 431 S HA -0.312 4.157 4.470 -0.002 0.000 0.226 431 S C 2.058 176.649 174.600 -0.015 0.000 1.033 431 S CA 2.256 60.483 58.200 0.045 0.000 1.011 431 S CB -0.302 62.972 63.200 0.123 0.000 0.852 431 S HN 0.742 nan 8.310 nan 0.000 0.457 432 Q N -0.068 119.720 119.800 -0.021 0.000 2.123 432 Q HA -0.083 4.256 4.340 -0.002 0.000 0.199 432 Q C 1.821 177.805 176.000 -0.027 0.000 0.966 432 Q CA 1.437 57.216 55.803 -0.040 0.000 0.845 432 Q CB -0.277 28.434 28.738 -0.044 0.000 0.907 432 Q HN 0.526 nan 8.270 nan 0.000 0.439 433 D N 1.090 121.482 120.400 -0.014 0.000 2.097 433 D HA -0.151 4.488 4.640 -0.002 0.000 0.195 433 D C 1.634 177.934 176.300 -0.000 0.000 0.989 433 D CA 1.144 55.139 54.000 -0.008 0.000 0.827 433 D CB -0.052 40.746 40.800 -0.003 0.000 0.966 433 D HN 0.256 nan 8.370 nan 0.000 0.456 434 E N -0.002 120.203 120.200 0.009 0.000 2.085 434 E HA -0.125 4.223 4.350 -0.002 0.000 0.194 434 E C 2.323 178.937 176.600 0.023 0.000 0.994 434 E CA 0.544 56.958 56.400 0.023 0.000 0.801 434 E CB -0.014 29.707 29.700 0.035 0.000 0.743 434 E HN 0.295 nan 8.360 nan 0.000 0.453 435 I N 0.732 121.303 120.570 0.001 0.000 2.202 435 I HA -0.254 3.915 4.170 -0.002 0.000 0.242 435 I C 2.534 178.636 176.117 -0.025 0.000 1.091 435 I CA 0.852 62.143 61.300 -0.014 0.000 1.368 435 I CB -0.389 37.581 38.000 -0.049 0.000 1.058 435 I HN 0.110 nan 8.210 nan 0.000 0.410 436 A N 0.847 123.650 122.820 -0.027 0.000 1.940 436 A HA -0.211 4.108 4.320 -0.002 0.000 0.219 436 A C 2.489 180.063 177.584 -0.017 0.000 1.176 436 A CA 2.127 54.147 52.037 -0.028 0.000 0.631 436 A CB -0.705 18.280 19.000 -0.025 0.000 0.814 436 A HN 0.469 nan 8.150 nan 0.000 0.446 437 A N -0.763 122.057 122.820 -0.000 0.000 1.835 437 A HA -0.002 4.317 4.320 -0.002 0.000 0.213 437 A C 2.492 180.094 177.584 0.031 0.000 1.210 437 A CA 2.470 54.515 52.037 0.013 0.000 0.605 437 A CB -1.210 17.803 19.000 0.021 0.000 0.860 437 A HN 0.764 nan 8.150 nan 0.000 0.447 438 T N -4.689 109.901 114.554 0.059 0.000 2.976 438 T HA 0.370 4.718 4.350 -0.002 0.000 0.257 438 T C 1.585 176.328 174.700 0.072 0.000 1.051 438 T CA 1.391 63.567 62.100 0.126 0.000 1.141 438 T CB -0.112 68.885 68.868 0.216 0.000 0.881 438 T HN 1.824 nan 8.240 nan 0.000 0.461 439 G N 0.220 109.009 108.800 -0.019 0.000 2.176 439 G HA2 -0.199 3.760 3.960 -0.002 0.000 0.253 439 G HA3 -0.199 3.760 3.960 -0.002 0.000 0.253 439 G C -0.173 174.538 174.900 -0.315 0.000 0.979 439 G CA -0.006 44.984 45.100 -0.183 0.000 0.641 439 G HN 0.607 nan 8.290 nan 0.000 0.530 440 W N -0.785 120.513 121.300 -0.003 0.000 2.639 440 W HA 0.781 5.440 4.660 -0.002 0.000 0.347 440 W C -0.005 176.517 176.519 0.005 0.000 1.067 440 W CA -1.210 56.139 57.345 0.007 0.000 1.218 440 W CB 1.616 31.085 29.460 0.014 0.000 1.393 440 W HN 0.277 nan 8.180 nan 0.000 0.557 441 L N 2.603 124.023 121.223 0.330 0.000 2.408 441 L HA 0.437 4.775 4.340 -0.002 0.000 0.268 441 L C -0.872 176.124 176.870 0.210 0.000 0.986 441 L CA -0.496 54.459 54.840 0.191 0.000 0.820 441 L CB 1.500 43.615 42.059 0.093 0.000 1.303 441 L HN 0.259 nan 8.230 nan 0.000 0.411 442 D N 2.130 122.625 120.400 0.159 0.000 2.339 442 D HA 0.128 4.766 4.640 -0.002 0.000 0.241 442 D C 1.045 177.419 176.300 0.122 0.000 1.183 442 D CA 0.316 54.406 54.000 0.150 0.000 0.859 442 D CB 1.628 42.521 40.800 0.155 0.000 1.067 442 D HN 0.740 nan 8.370 nan 0.000 0.484 443 T N 0.897 115.528 114.554 0.128 0.000 3.035 443 T HA 0.121 4.470 4.350 -0.002 0.000 0.268 443 T C 1.548 176.295 174.700 0.078 0.000 1.109 443 T CA 0.573 62.743 62.100 0.115 0.000 1.119 443 T CB -0.229 68.740 68.868 0.168 0.000 0.900 443 T HN 0.647 nan 8.240 nan 0.000 0.503 444 G N 1.205 110.018 108.800 0.022 0.000 2.143 444 G HA2 -0.177 3.782 3.960 -0.002 0.000 0.248 444 G HA3 -0.177 3.782 3.960 -0.002 0.000 0.248 444 G C -0.526 174.343 174.900 -0.052 0.000 0.991 444 G CA 0.094 45.156 45.100 -0.064 0.000 0.689 444 G HN 0.618 nan 8.290 nan 0.000 0.522 445 D N -0.186 120.220 120.400 0.009 0.000 2.198 445 D HA 0.631 5.269 4.640 -0.002 0.000 0.247 445 D C 0.684 176.991 176.300 0.012 0.000 1.010 445 D CA -0.394 53.627 54.000 0.034 0.000 0.880 445 D CB 1.546 42.413 40.800 0.111 0.000 1.209 445 D HN 0.196 nan 8.370 nan 0.000 0.451 446 L N 0.971 122.219 121.223 0.041 0.000 2.325 446 L HA 0.754 5.092 4.340 -0.002 0.000 0.279 446 L C 0.975 177.881 176.870 0.061 0.000 1.054 446 L CA -0.246 54.652 54.840 0.095 0.000 0.804 446 L CB 1.565 43.737 42.059 0.189 0.000 1.200 446 L HN 0.499 nan 8.230 nan 0.000 0.436 447 G N 1.181 110.022 108.800 0.067 0.000 2.489 447 G HA2 0.551 4.509 3.960 -0.002 0.000 0.305 447 G HA3 0.551 4.509 3.960 -0.002 0.000 0.305 447 G C -2.195 172.788 174.900 0.138 0.000 1.311 447 G CA -0.397 44.702 45.100 -0.002 0.000 0.813 447 G HN 0.540 nan 8.290 nan 0.000 0.480 448 Y N -2.013 118.261 120.300 -0.042 0.000 2.656 448 Y HA 0.811 5.359 4.550 -0.002 0.000 0.334 448 Y C -1.622 174.323 175.900 0.076 0.000 1.179 448 Y CA -1.716 56.386 58.100 0.003 0.000 1.050 448 Y CB 0.942 39.384 38.460 -0.030 0.000 1.308 448 Y HN 0.539 nan 8.280 nan 0.000 0.456 449 L N 3.247 124.559 121.223 0.149 0.000 2.344 449 L HA 0.593 4.932 4.340 -0.002 0.000 0.272 449 L C -0.648 176.384 176.870 0.270 0.000 1.035 449 L CA -1.056 53.851 54.840 0.113 0.000 0.807 449 L CB 1.558 43.659 42.059 0.070 0.000 1.237 449 L HN 0.832 nan 8.230 nan 0.000 0.442 450 L N 2.296 123.694 121.223 0.292 0.000 2.516 450 L HA 0.288 4.626 4.340 -0.002 0.000 0.267 450 L C -0.788 176.236 176.870 0.256 0.000 0.957 450 L CA -0.431 54.593 54.840 0.307 0.000 0.860 450 L CB 1.705 44.005 42.059 0.401 0.000 1.265 450 L HN 0.668 nan 8.230 nan 0.000 0.403 451 D N 3.909 124.392 120.400 0.138 0.000 2.701 451 D HA -0.211 4.427 4.640 -0.002 0.000 0.235 451 D C 1.117 177.336 176.300 -0.135 0.000 1.155 451 D CA 1.411 55.437 54.000 0.044 0.000 0.649 451 D CB -0.858 40.012 40.800 0.117 0.000 1.050 451 D HN 1.123 nan 8.370 nan 0.000 0.425 452 G N -1.456 107.287 108.800 -0.094 0.000 2.184 452 G HA2 -0.385 3.574 3.960 -0.002 0.000 0.264 452 G HA3 -0.385 3.574 3.960 -0.002 0.000 0.264 452 G C 0.113 174.871 174.900 -0.237 0.000 0.975 452 G CA 0.503 45.493 45.100 -0.183 0.000 0.642 452 G HN 0.451 nan 8.290 nan 0.000 0.536 453 Y N -0.582 119.696 120.300 -0.036 0.000 2.299 453 Y HA 0.642 5.191 4.550 -0.002 0.000 0.326 453 Y C 0.587 176.304 175.900 -0.304 0.000 1.164 453 Y CA -1.202 56.795 58.100 -0.172 0.000 1.234 453 Y CB 1.297 39.627 38.460 -0.216 0.000 1.219 453 Y HN 0.201 nan 8.280 nan 0.000 0.497 454 L N 4.074 125.164 121.223 -0.222 0.000 2.292 454 L HA 0.370 4.709 4.340 -0.002 0.000 0.284 454 L C -1.628 174.830 176.870 -0.687 0.000 1.065 454 L CA -0.685 53.949 54.840 -0.344 0.000 0.806 454 L CB -0.014 41.912 42.059 -0.222 0.000 1.175 454 L HN 0.465 nan 8.230 nan 0.000 0.431 455 Y N 4.498 124.467 120.300 -0.552 0.000 2.388 455 Y HA 0.458 5.007 4.550 -0.002 0.000 0.328 455 Y C -0.199 175.371 175.900 -0.551 0.000 0.963 455 Y CA -0.853 56.868 58.100 -0.632 0.000 1.240 455 Y CB 1.553 39.332 38.460 -1.134 0.000 1.118 455 Y HN 0.277 nan 8.280 nan 0.000 0.484 456 V N 3.173 122.918 119.914 -0.281 0.000 2.432 456 V HA 0.092 4.210 4.120 -0.002 0.000 0.271 456 V C 0.879 176.911 176.094 -0.104 0.000 1.046 456 V CA 0.197 62.333 62.300 -0.273 0.000 0.945 456 V CB 0.978 32.568 31.823 -0.389 0.000 0.992 456 V HN 0.977 nan 8.190 nan 0.000 0.471 457 T N 0.890 115.380 114.554 -0.107 0.000 3.040 457 T HA 0.524 4.872 4.350 -0.002 0.000 0.252 457 T C 0.771 175.700 174.700 0.382 0.000 1.064 457 T CA 0.552 62.636 62.100 -0.028 0.000 1.110 457 T CB 0.584 69.248 68.868 -0.340 0.000 0.921 457 T HN 1.294 nan 8.240 nan 0.000 0.480 458 G N 0.445 109.428 108.800 0.304 0.000 2.341 458 G HA2 0.375 4.333 3.960 -0.002 0.000 0.293 458 G HA3 0.375 4.333 3.960 -0.002 0.000 0.293 458 G C -1.847 173.143 174.900 0.150 0.000 1.298 458 G CA -1.297 43.974 45.100 0.285 0.000 0.868 458 G HN 0.346 nan 8.290 nan 0.000 0.540 459 R N -0.155 120.397 120.500 0.087 0.000 2.404 459 R HA 0.475 4.814 4.340 -0.002 0.000 0.291 459 R C 1.527 177.796 176.300 -0.053 0.000 1.025 459 R CA -0.653 55.460 56.100 0.022 0.000 0.991 459 R CB 1.390 31.705 30.300 0.024 0.000 1.053 459 R HN 0.464 nan 8.270 nan 0.000 0.479 460 I N 1.984 122.498 120.570 -0.094 0.000 2.208 460 I HA -0.349 3.819 4.170 -0.002 0.000 0.245 460 I C 2.388 178.428 176.117 -0.129 0.000 1.097 460 I CA 1.477 62.687 61.300 -0.151 0.000 1.363 460 I CB -0.333 37.529 38.000 -0.230 0.000 1.051 460 I HN 0.634 nan 8.210 nan 0.000 0.413 461 K N 0.930 121.274 120.400 -0.094 0.000 2.074 461 K HA -0.237 4.081 4.320 -0.002 0.000 0.209 461 K C 1.533 178.087 176.600 -0.077 0.000 1.048 461 K CA 2.037 58.279 56.287 -0.076 0.000 0.926 461 K CB -0.028 32.441 32.500 -0.052 0.000 0.713 461 K HN 0.288 nan 8.250 nan 0.000 0.444 462 D N 0.248 120.606 120.400 -0.071 0.000 2.323 462 D HA -0.059 4.580 4.640 -0.002 0.000 0.209 462 D C 0.256 176.482 176.300 -0.122 0.000 0.973 462 D CA 0.138 54.101 54.000 -0.061 0.000 0.874 462 D CB -0.092 40.699 40.800 -0.014 0.000 0.930 462 D HN 0.083 nan 8.370 nan 0.000 0.521 463 L N 1.367 122.462 121.223 -0.213 0.000 2.499 463 L HA 0.069 4.407 4.340 -0.002 0.000 0.273 463 L C -0.107 176.606 176.870 -0.262 0.000 1.195 463 L CA 0.157 54.775 54.840 -0.371 0.000 0.882 463 L CB 0.247 42.017 42.059 -0.481 0.000 1.133 463 L HN -0.116 nan 8.230 nan 0.000 0.483 464 I N 6.999 127.406 120.570 -0.271 0.000 2.294 464 I HA 0.161 4.329 4.170 -0.002 0.000 0.295 464 I C -0.283 175.721 176.117 -0.190 0.000 1.098 464 I CA 0.188 61.380 61.300 -0.181 0.000 1.277 464 I CB 0.004 37.911 38.000 -0.155 0.000 1.434 464 I HN 0.477 nan 8.210 nan 0.000 0.498 465 I N 8.248 128.729 120.570 -0.147 0.000 2.306 465 I HA 0.369 4.538 4.170 -0.002 0.000 0.288 465 I C 0.398 176.460 176.117 -0.091 0.000 1.036 465 I CA -0.297 60.927 61.300 -0.127 0.000 1.221 465 I CB 0.290 38.224 38.000 -0.111 0.000 1.385 465 I HN 0.473 nan 8.210 nan 0.000 0.472 466 I N 2.034 122.550 120.570 -0.090 0.000 3.436 466 I HA 0.585 4.753 4.170 -0.002 0.000 0.296 466 I C 0.049 176.137 176.117 -0.048 0.000 1.143 466 I CA -1.432 59.830 61.300 -0.064 0.000 1.009 466 I CB 0.999 38.963 38.000 -0.061 0.000 1.301 466 I HN 0.384 nan 8.210 nan 0.000 0.503 467 R N 1.272 121.757 120.500 -0.024 0.000 2.483 467 R HA 0.194 4.532 4.340 -0.002 0.000 0.329 467 R C 0.963 177.266 176.300 0.005 0.000 0.961 467 R CA 1.188 57.286 56.100 -0.003 0.000 1.041 467 R CB -0.219 30.089 30.300 0.013 0.000 0.930 467 R HN 1.064 nan 8.270 nan 0.000 0.413 468 G N 2.553 111.357 108.800 0.007 0.000 2.189 468 G HA2 -0.382 3.576 3.960 -0.002 0.000 0.267 468 G HA3 -0.382 3.576 3.960 -0.002 0.000 0.267 468 G C -0.161 174.734 174.900 -0.008 0.000 0.975 468 G CA 1.015 46.136 45.100 0.036 0.000 0.644 468 G HN 0.640 nan 8.290 nan 0.000 0.537 469 R N -1.110 119.316 120.500 -0.123 0.000 2.680 469 R HA 0.666 5.005 4.340 -0.002 0.000 0.269 469 R C -1.053 175.126 176.300 -0.202 0.000 1.026 469 R CA -1.006 54.925 56.100 -0.283 0.000 0.889 469 R CB 0.448 30.211 30.300 -0.896 0.000 1.241 469 R HN 0.043 nan 8.270 nan 0.000 0.463 470 N N 2.023 120.628 118.700 -0.158 0.000 2.399 470 N HA 0.496 5.234 4.740 -0.002 0.000 0.295 470 N C -0.654 174.812 175.510 -0.073 0.000 1.048 470 N CA -0.468 52.477 53.050 -0.175 0.000 0.886 470 N CB 1.867 40.190 38.487 -0.273 0.000 1.185 470 N HN 0.528 nan 8.380 nan 0.000 0.487 471 I N 0.489 120.988 120.570 -0.118 0.000 2.465 471 I HA 0.296 4.464 4.170 -0.002 0.000 0.291 471 I C -0.115 176.004 176.117 0.003 0.000 1.014 471 I CA -0.827 60.520 61.300 0.078 0.000 1.093 471 I CB 1.993 39.989 38.000 -0.006 0.000 1.267 471 I HN 0.274 nan 8.210 nan 0.000 0.431 472 W N 7.441 128.759 121.300 0.030 0.000 2.485 472 W HA 0.162 4.821 4.660 -0.003 0.000 0.315 472 W C -1.400 175.117 176.519 -0.004 0.000 1.304 472 W CA -1.333 56.041 57.345 0.047 0.000 1.345 472 W CB 0.786 30.323 29.460 0.129 0.000 1.368 472 W HN 0.384 nan 8.180 nan 0.000 0.497 473 P HA -0.335 nan 4.420 nan 0.000 0.218 473 P C 1.521 178.860 177.300 0.066 0.000 1.152 473 P CA 2.133 65.245 63.100 0.019 0.000 0.857 473 P CB 0.077 31.793 31.700 0.028 0.000 0.787 474 Q N -0.437 119.458 119.800 0.159 0.000 2.291 474 Q HA -0.146 4.193 4.340 -0.002 0.000 0.205 474 Q C 1.145 177.247 176.000 0.171 0.000 0.970 474 Q CA 1.375 57.280 55.803 0.170 0.000 0.876 474 Q CB -0.912 27.949 28.738 0.204 0.000 0.935 474 Q HN 0.196 nan 8.270 nan 0.000 0.455 475 D N 1.155 121.656 120.400 0.168 0.000 2.183 475 D HA 0.042 4.681 4.640 -0.002 0.000 0.203 475 D C 1.978 178.364 176.300 0.142 0.000 0.969 475 D CA 0.733 54.852 54.000 0.197 0.000 0.842 475 D CB 0.043 41.036 40.800 0.322 0.000 0.957 475 D HN 0.324 nan 8.370 nan 0.000 0.484 476 I N 0.577 121.067 120.570 -0.133 0.000 2.400 476 I HA -0.134 4.034 4.170 -0.002 0.000 0.248 476 I C 1.971 178.082 176.117 -0.011 0.000 1.109 476 I CA 0.676 61.825 61.300 -0.250 0.000 1.425 476 I CB -0.053 37.702 38.000 -0.409 0.000 1.094 476 I HN -0.098 nan 8.210 nan 0.000 0.425 477 E N 0.292 120.511 120.200 0.031 0.000 2.160 477 E HA -0.290 4.059 4.350 -0.002 0.000 0.195 477 E C 1.950 178.621 176.600 0.117 0.000 0.991 477 E CA 1.340 57.779 56.400 0.064 0.000 0.810 477 E CB -0.257 29.492 29.700 0.081 0.000 0.742 477 E HN 0.462 nan 8.360 nan 0.000 0.466 478 Y N 1.357 121.690 120.300 0.055 0.000 2.114 478 Y HA -0.284 4.265 4.550 -0.002 0.000 0.282 478 Y C 1.900 177.841 175.900 0.068 0.000 1.165 478 Y CA 1.706 59.849 58.100 0.072 0.000 1.148 478 Y CB -0.187 38.327 38.460 0.090 0.000 0.972 478 Y HN -0.029 nan 8.280 nan 0.000 0.504 479 I N 0.102 120.770 120.570 0.162 0.000 2.248 479 I HA -0.389 3.780 4.170 -0.002 0.000 0.248 479 I C 2.660 178.752 176.117 -0.042 0.000 1.107 479 I CA 1.318 62.655 61.300 0.061 0.000 1.373 479 I CB -0.785 37.305 38.000 0.149 0.000 1.055 479 I HN 0.376 nan 8.210 nan 0.000 0.418 480 A N 0.633 123.438 122.820 -0.025 0.000 1.930 480 A HA -0.197 4.122 4.320 -0.002 0.000 0.217 480 A C 2.060 179.597 177.584 -0.080 0.000 1.175 480 A CA 1.479 53.491 52.037 -0.042 0.000 0.627 480 A CB -0.561 18.427 19.000 -0.021 0.000 0.815 480 A HN 0.500 nan 8.150 nan 0.000 0.443 481 E N 0.010 120.146 120.200 -0.107 0.000 2.516 481 E HA -0.101 4.248 4.350 -0.002 0.000 0.199 481 E C 1.561 178.054 176.600 -0.178 0.000 1.069 481 E CA 0.328 56.657 56.400 -0.118 0.000 0.876 481 E CB -0.002 29.654 29.700 -0.073 0.000 0.843 481 E HN 0.552 nan 8.360 nan 0.000 0.530 482 Q N 0.621 120.290 119.800 -0.220 0.000 2.245 482 Q HA -0.009 4.330 4.340 -0.002 0.000 0.201 482 Q C 0.467 176.403 176.000 -0.106 0.000 0.955 482 Q CA 0.749 56.437 55.803 -0.191 0.000 0.870 482 Q CB 0.172 28.799 28.738 -0.185 0.000 0.945 482 Q HN 0.303 nan 8.270 nan 0.000 0.461 483 E N 1.322 121.465 120.200 -0.094 0.000 2.398 483 E HA 0.011 4.359 4.350 -0.002 0.000 0.263 483 E C -1.630 174.917 176.600 -0.089 0.000 1.046 483 E CA -1.661 54.694 56.400 -0.074 0.000 0.908 483 E CB 0.328 29.988 29.700 -0.067 0.000 0.963 483 E HN -0.011 nan 8.360 nan 0.000 0.431 484 P HA -0.101 nan 4.420 nan 0.000 0.219 484 P C 0.588 177.809 177.300 -0.131 0.000 1.150 484 P CA 1.166 64.228 63.100 -0.063 0.000 0.814 484 P CB 0.375 32.056 31.700 -0.031 0.000 0.787 485 E N -0.632 119.481 120.200 -0.146 0.000 2.216 485 E HA 0.025 4.374 4.350 -0.002 0.000 0.192 485 E C 0.657 177.024 176.600 -0.388 0.000 0.988 485 E CA 0.383 56.663 56.400 -0.199 0.000 0.834 485 E CB -0.351 29.288 29.700 -0.102 0.000 0.772 485 E HN 0.285 nan 8.360 nan 0.000 0.479 486 I N 2.059 122.441 120.570 -0.314 0.000 2.365 486 I HA 0.149 4.318 4.170 -0.002 0.000 0.291 486 I C 0.393 176.298 176.117 -0.355 0.000 1.004 486 I CA -0.527 60.594 61.300 -0.298 0.000 1.311 486 I CB 0.608 38.529 38.000 -0.131 0.000 1.401 486 I HN 0.088 nan 8.210 nan 0.000 0.491 487 H N 3.260 122.340 119.070 0.016 0.000 2.649 487 H HA 0.328 4.882 4.556 -0.003 0.000 0.337 487 H C -0.364 174.989 175.328 0.042 0.000 1.282 487 H CA -0.947 55.119 56.048 0.030 0.000 1.333 487 H CB 1.505 31.287 29.762 0.034 0.000 1.787 487 H HN 0.394 nan 8.280 nan 0.000 0.632 488 S N -0.494 115.337 115.700 0.218 0.000 2.510 488 S HA 0.342 4.810 4.470 -0.002 0.000 0.279 488 S C 1.119 175.801 174.600 0.137 0.000 1.284 488 S CA 0.764 59.064 58.200 0.166 0.000 1.059 488 S CB -0.266 63.051 63.200 0.194 0.000 0.901 488 S HN 0.915 nan 8.310 nan 0.000 0.491 489 G N 4.705 113.572 108.800 0.112 0.000 2.254 489 G HA2 -0.194 3.765 3.960 -0.002 0.000 0.225 489 G HA3 -0.194 3.765 3.960 -0.002 0.000 0.225 489 G C 0.573 175.518 174.900 0.074 0.000 1.003 489 G CA 0.327 45.474 45.100 0.079 0.000 0.622 489 G HN 0.643 nan 8.290 nan 0.000 0.507 490 D N 1.113 121.564 120.400 0.087 0.000 2.219 490 D HA 0.362 5.001 4.640 -0.002 0.000 0.205 490 D C 1.485 177.822 176.300 0.062 0.000 0.970 490 D CA 1.516 55.561 54.000 0.076 0.000 0.851 490 D CB 0.020 40.861 40.800 0.069 0.000 0.943 490 D HN 0.934 nan 8.370 nan 0.000 0.488 491 A N 0.326 123.183 122.820 0.061 0.000 2.318 491 A HA 0.653 4.972 4.320 -0.002 0.000 0.324 491 A C -0.488 177.137 177.584 0.068 0.000 1.170 491 A CA -0.512 51.556 52.037 0.051 0.000 0.810 491 A CB 0.937 19.955 19.000 0.031 0.000 1.198 491 A HN 0.037 nan 8.150 nan 0.000 0.484 492 I N 1.747 122.362 120.570 0.075 0.000 2.465 492 I HA 0.609 4.778 4.170 -0.002 0.000 0.291 492 I C 0.300 176.469 176.117 0.086 0.000 1.014 492 I CA -0.429 60.939 61.300 0.113 0.000 1.093 492 I CB 2.168 40.272 38.000 0.174 0.000 1.267 492 I HN 0.698 nan 8.210 nan 0.000 0.431 493 A N 6.573 129.437 122.820 0.074 0.000 2.350 493 A HA 0.978 5.297 4.320 -0.002 0.000 0.324 493 A C -0.968 176.659 177.584 0.072 0.000 1.118 493 A CA -0.374 51.634 52.037 -0.048 0.000 0.783 493 A CB 1.034 19.975 19.000 -0.097 0.000 1.236 493 A HN 0.685 nan 8.150 nan 0.000 0.457 494 F N -0.172 119.697 119.950 -0.135 0.000 2.773 494 F HA 0.682 5.207 4.527 -0.003 0.000 0.314 494 F C -1.295 174.397 175.800 -0.180 0.000 1.160 494 F CA -1.256 56.656 58.000 -0.146 0.000 0.920 494 F CB 1.192 40.112 39.000 -0.132 0.000 1.323 494 F HN 0.553 nan 8.300 nan 0.000 0.457 495 V N 1.504 121.442 119.914 0.041 0.000 2.435 495 V HA 0.550 4.669 4.120 -0.002 0.000 0.290 495 V C -0.076 176.040 176.094 0.036 0.000 1.030 495 V CA -0.017 62.240 62.300 -0.072 0.000 0.881 495 V CB 1.412 33.188 31.823 -0.078 0.000 0.983 495 V HN 1.120 nan 8.190 nan 0.000 0.445 496 T N 4.965 119.475 114.554 -0.073 0.000 2.802 496 T HA 0.380 4.728 4.350 -0.002 0.000 0.305 496 T C 1.289 175.967 174.700 -0.036 0.000 1.053 496 T CA 0.405 62.487 62.100 -0.030 0.000 1.058 496 T CB 1.282 70.078 68.868 -0.120 0.000 0.988 496 T HN 1.131 nan 8.240 nan 0.000 0.539 497 A N 1.881 124.679 122.820 -0.037 0.000 2.168 497 A HA 0.017 4.336 4.320 -0.002 0.000 0.215 497 A C 1.859 179.415 177.584 -0.048 0.000 1.152 497 A CA 0.980 52.996 52.037 -0.035 0.000 0.716 497 A CB -0.348 18.641 19.000 -0.019 0.000 0.794 497 A HN 0.787 nan 8.150 nan 0.000 0.465 498 Q N -0.475 119.273 119.800 -0.087 0.000 2.322 498 Q HA 0.177 4.516 4.340 -0.002 0.000 0.203 498 Q C -0.098 175.877 176.000 -0.041 0.000 0.923 498 Q CA 0.293 56.062 55.803 -0.057 0.000 0.949 498 Q CB -0.075 28.617 28.738 -0.076 0.000 1.039 498 Q HN 0.675 nan 8.270 nan 0.000 0.496 499 E N -0.178 119.992 120.200 -0.050 0.000 3.070 499 E HA -0.182 4.167 4.350 -0.002 0.000 0.285 499 E C -0.783 175.779 176.600 -0.063 0.000 0.972 499 E CA 0.387 56.758 56.400 -0.049 0.000 0.915 499 E CB -0.490 29.192 29.700 -0.030 0.000 1.466 499 E HN 0.206 nan 8.360 nan 0.000 0.432 500 K N 0.657 121.007 120.400 -0.084 0.000 2.211 500 K HA 0.402 4.721 4.320 -0.002 0.000 0.275 500 K C 0.302 176.793 176.600 -0.182 0.000 1.024 500 K CA -0.452 55.775 56.287 -0.101 0.000 0.887 500 K CB 1.103 33.561 32.500 -0.070 0.000 1.084 500 K HN 0.118 nan 8.250 nan 0.000 0.463 501 I N 4.560 125.018 120.570 -0.186 0.000 2.379 501 I HA 0.132 4.301 4.170 -0.002 0.000 0.290 501 I C 0.055 175.951 176.117 -0.369 0.000 1.063 501 I CA -0.561 60.576 61.300 -0.272 0.000 1.351 501 I CB 0.351 38.228 38.000 -0.205 0.000 1.410 501 I HN 0.320 nan 8.210 nan 0.000 0.505 502 I N 7.397 127.581 120.570 -0.642 0.000 2.412 502 I HA 0.276 4.445 4.170 -0.002 0.000 0.296 502 I C -0.510 175.224 176.117 -0.637 0.000 0.987 502 I CA -0.515 60.369 61.300 -0.695 0.000 1.180 502 I CB 1.741 39.104 38.000 -1.061 0.000 1.340 502 I HN 0.350 nan 8.210 nan 0.000 0.455 503 L N 6.614 127.626 121.223 -0.352 0.000 2.316 503 L HA 0.466 4.804 4.340 -0.002 0.000 0.280 503 L C -0.745 176.053 176.870 -0.121 0.000 1.006 503 L CA -0.001 54.706 54.840 -0.222 0.000 0.836 503 L CB 0.946 42.921 42.059 -0.141 0.000 1.221 503 L HN 0.544 nan 8.230 nan 0.000 0.418 504 Q N 6.028 125.795 119.800 -0.054 0.000 2.243 504 Q HA 0.587 4.926 4.340 -0.002 0.000 0.252 504 Q C -1.101 174.923 176.000 0.040 0.000 0.909 504 Q CA -0.365 55.459 55.803 0.035 0.000 0.922 504 Q CB 2.417 31.233 28.738 0.130 0.000 1.215 504 Q HN 0.621 nan 8.270 nan 0.000 0.427 505 I N 2.640 123.232 120.570 0.038 0.000 2.468 505 I HA 0.144 4.312 4.170 -0.002 0.000 0.285 505 I C -0.355 175.786 176.117 0.041 0.000 1.039 505 I CA -0.832 60.488 61.300 0.032 0.000 1.074 505 I CB 1.835 39.841 38.000 0.011 0.000 1.228 505 I HN 0.569 nan 8.210 nan 0.000 0.436 506 Q N 6.184 126.015 119.800 0.051 0.000 2.274 506 Q HA 0.655 4.993 4.340 -0.002 0.000 0.256 506 Q C -0.695 175.334 176.000 0.047 0.000 0.927 506 Q CA -0.590 55.247 55.803 0.057 0.000 0.939 506 Q CB 1.853 30.637 28.738 0.077 0.000 1.201 506 Q HN 0.779 nan 8.270 nan 0.000 0.426 507 C N 0.609 119.933 119.300 0.039 0.000 3.311 507 C HA 0.584 5.043 4.460 -0.002 0.000 0.325 507 C C 0.142 175.149 174.990 0.029 0.000 1.352 507 C CA -1.025 58.008 59.018 0.025 0.000 1.308 507 C CB 1.669 29.409 27.740 -0.001 0.000 1.619 507 C HN 1.067 nan 8.230 nan 0.000 0.469 508 R N 0.249 120.764 120.500 0.025 0.000 2.515 508 R HA 0.366 4.704 4.340 -0.002 0.000 0.294 508 R C -0.328 175.981 176.300 0.015 0.000 1.021 508 R CA -0.129 55.987 56.100 0.027 0.000 1.081 508 R CB -0.096 30.226 30.300 0.037 0.000 1.263 508 R HN 0.678 nan 8.270 nan 0.000 0.557 509 I N 1.192 121.766 120.570 0.008 0.000 2.406 509 I HA -0.043 4.126 4.170 -0.002 0.000 0.293 509 I C 0.905 177.027 176.117 0.008 0.000 1.101 509 I CA 0.284 61.587 61.300 0.004 0.000 1.334 509 I CB 1.433 39.432 38.000 -0.002 0.000 1.421 509 I HN 0.156 nan 8.210 nan 0.000 0.513 510 S N 2.892 118.597 115.700 0.008 0.000 2.404 510 S HA -0.070 4.399 4.470 -0.002 0.000 0.223 510 S C 0.667 175.271 174.600 0.007 0.000 1.040 510 S CA 0.057 58.262 58.200 0.009 0.000 0.957 510 S CB -0.154 63.051 63.200 0.009 0.000 0.826 510 S HN 0.753 nan 8.310 nan 0.000 0.491 511 D N 2.136 122.539 120.400 0.006 0.000 2.502 511 D HA -0.022 4.616 4.640 -0.002 0.000 0.249 511 D C 0.884 177.187 176.300 0.005 0.000 1.188 511 D CA 0.168 54.170 54.000 0.004 0.000 0.890 511 D CB 0.771 41.573 40.800 0.003 0.000 1.140 511 D HN 0.078 nan 8.370 nan 0.000 0.505 512 E N 3.411 123.614 120.200 0.005 0.000 2.150 512 E HA -0.180 4.168 4.350 -0.002 0.000 0.193 512 E C 1.503 178.106 176.600 0.005 0.000 0.985 512 E CA 1.176 57.579 56.400 0.006 0.000 0.814 512 E CB -0.047 29.657 29.700 0.005 0.000 0.752 512 E HN 0.706 nan 8.360 nan 0.000 0.466 513 E N 0.081 120.282 120.200 0.002 0.000 2.051 513 E HA -0.275 4.074 4.350 -0.002 0.000 0.192 513 E C 2.114 178.716 176.600 0.003 0.000 0.991 513 E CA 1.309 57.709 56.400 0.000 0.000 0.799 513 E CB -0.098 29.601 29.700 -0.002 0.000 0.748 513 E HN 0.076 nan 8.360 nan 0.000 0.449 514 R N 0.865 121.367 120.500 0.005 0.000 2.092 514 R HA -0.069 4.269 4.340 -0.002 0.000 0.231 514 R C 2.355 178.661 176.300 0.012 0.000 1.119 514 R CA 1.572 57.676 56.100 0.007 0.000 0.970 514 R CB -0.224 30.078 30.300 0.003 0.000 0.864 514 R HN 0.108 nan 8.270 nan 0.000 0.440 515 R N -0.668 119.839 120.500 0.011 0.000 2.082 515 R HA -0.067 4.271 4.340 -0.002 0.000 0.234 515 R C 2.415 178.729 176.300 0.024 0.000 1.136 515 R CA 1.660 57.769 56.100 0.015 0.000 0.935 515 R CB -1.026 29.283 30.300 0.015 0.000 0.842 515 R HN 0.460 nan 8.270 nan 0.000 0.430 516 G N 0.958 109.771 108.800 0.022 0.000 2.440 516 G HA2 -0.367 3.592 3.960 -0.002 0.000 0.218 516 G HA3 -0.367 3.592 3.960 -0.002 0.000 0.218 516 G C 1.360 176.289 174.900 0.049 0.000 1.154 516 G CA 0.915 46.033 45.100 0.030 0.000 0.767 516 G HN 0.457 nan 8.290 nan 0.000 0.552 517 Q N -0.085 119.736 119.800 0.035 0.000 2.050 517 Q HA -0.071 4.268 4.340 -0.002 0.000 0.202 517 Q C 2.458 178.508 176.000 0.084 0.000 0.980 517 Q CA 1.598 57.432 55.803 0.050 0.000 0.840 517 Q CB -0.320 28.433 28.738 0.026 0.000 0.898 517 Q HN 0.508 nan 8.270 nan 0.000 0.424 518 L N 0.005 121.259 121.223 0.051 0.000 2.109 518 L HA -0.076 4.263 4.340 -0.002 0.000 0.207 518 L C 2.231 179.124 176.870 0.040 0.000 1.086 518 L CA 0.872 55.734 54.840 0.038 0.000 0.760 518 L CB -0.141 41.926 42.059 0.013 0.000 0.910 518 L HN 0.341 nan 8.230 nan 0.000 0.437 519 I N -0.185 120.414 120.570 0.050 0.000 2.179 519 I HA -0.361 3.808 4.170 -0.002 0.000 0.242 519 I C 2.541 178.694 176.117 0.060 0.000 1.088 519 I CA 1.836 63.163 61.300 0.045 0.000 1.357 519 I CB -0.429 37.602 38.000 0.051 0.000 1.051 519 I HN 0.464 nan 8.210 nan 0.000 0.409 520 H N 0.905 119.978 119.070 0.004 0.000 2.357 520 H HA -0.084 4.471 4.556 -0.002 0.000 0.301 520 H C 2.126 177.460 175.328 0.009 0.000 1.082 520 H CA 1.667 57.719 56.048 0.007 0.000 1.342 520 H CB 0.036 29.802 29.762 0.007 0.000 1.389 520 H HN 0.278 nan 8.280 nan 0.000 0.511 521 A N 0.539 123.360 122.820 0.001 0.000 1.898 521 A HA -0.079 4.240 4.320 -0.002 0.000 0.216 521 A C 2.302 179.841 177.584 -0.075 0.000 1.181 521 A CA 1.420 53.430 52.037 -0.045 0.000 0.620 521 A CB -0.760 18.271 19.000 0.051 0.000 0.819 521 A HN 0.440 nan 8.150 nan 0.000 0.442 522 L N -0.360 120.838 121.223 -0.041 0.000 2.027 522 L HA -0.045 4.293 4.340 -0.002 0.000 0.206 522 L C 2.899 179.742 176.870 -0.044 0.000 1.074 522 L CA 1.847 56.669 54.840 -0.030 0.000 0.745 522 L CB -1.035 41.013 42.059 -0.018 0.000 0.898 522 L HN 0.389 nan 8.230 nan 0.000 0.433 523 A N -0.676 122.102 122.820 -0.070 0.000 1.873 523 A HA -0.248 4.071 4.320 -0.002 0.000 0.218 523 A C 2.466 180.001 177.584 -0.081 0.000 1.193 523 A CA 2.352 54.346 52.037 -0.072 0.000 0.629 523 A CB -1.209 17.743 19.000 -0.080 0.000 0.826 523 A HN 0.481 nan 8.150 nan 0.000 0.447 524 A N -0.753 121.973 122.820 -0.157 0.000 1.865 524 A HA -0.211 4.108 4.320 -0.002 0.000 0.217 524 A C 2.282 179.838 177.584 -0.047 0.000 1.191 524 A CA 1.908 53.866 52.037 -0.132 0.000 0.623 524 A CB -0.562 18.306 19.000 -0.220 0.000 0.826 524 A HN 0.535 nan 8.150 nan 0.000 0.444 525 R N -0.729 119.751 120.500 -0.033 0.000 2.127 525 R HA -0.070 4.269 4.340 -0.002 0.000 0.238 525 R C 1.868 178.213 176.300 0.073 0.000 1.134 525 R CA 1.600 57.711 56.100 0.018 0.000 0.975 525 R CB -0.330 29.983 30.300 0.022 0.000 0.865 525 R HN 0.620 nan 8.270 nan 0.000 0.447 526 I N -0.250 120.368 120.570 0.081 0.000 2.500 526 I HA -0.194 3.974 4.170 -0.002 0.000 0.252 526 I C 2.532 178.749 176.117 0.167 0.000 1.142 526 I CA 0.824 62.222 61.300 0.164 0.000 1.451 526 I CB -0.144 37.903 38.000 0.077 0.000 1.093 526 I HN 0.269 nan 8.210 nan 0.000 0.430 527 Q N 0.091 119.938 119.800 0.078 0.000 2.297 527 Q HA -0.170 4.169 4.340 -0.002 0.000 0.204 527 Q C 2.262 178.300 176.000 0.063 0.000 0.962 527 Q CA 1.470 57.313 55.803 0.068 0.000 0.879 527 Q CB 0.142 28.895 28.738 0.026 0.000 0.947 527 Q HN 0.445 nan 8.270 nan 0.000 0.462 528 S N 0.357 116.086 115.700 0.048 0.000 2.329 528 S HA -0.130 4.338 4.470 -0.002 0.000 0.215 528 S C 1.695 176.303 174.600 0.012 0.000 1.031 528 S CA 0.950 59.164 58.200 0.025 0.000 0.985 528 S CB -0.151 63.057 63.200 0.013 0.000 0.917 528 S HN 0.352 nan 8.310 nan 0.000 0.441 529 E N -0.349 119.863 120.200 0.020 0.000 2.118 529 E HA -0.087 4.262 4.350 -0.002 0.000 0.195 529 E C 1.406 177.832 176.600 -0.291 0.000 0.992 529 E CA 1.201 57.529 56.400 -0.121 0.000 0.804 529 E CB -0.179 29.491 29.700 -0.049 0.000 0.741 529 E HN 0.688 nan 8.360 nan 0.000 0.458 530 F N -1.388 118.584 119.950 0.036 0.000 2.752 530 F HA 0.262 4.787 4.527 -0.002 0.000 0.310 530 F C 1.385 177.215 175.800 0.051 0.000 1.097 530 F CA 0.418 58.445 58.000 0.046 0.000 1.238 530 F CB 1.142 40.164 39.000 0.037 0.000 1.061 530 F HN 0.045 nan 8.300 nan 0.000 0.591 531 G N 1.648 110.553 108.800 0.176 0.000 2.176 531 G HA2 -0.201 3.758 3.960 -0.002 0.000 0.252 531 G HA3 -0.201 3.758 3.960 -0.002 0.000 0.252 531 G C -0.431 174.539 174.900 0.116 0.000 1.024 531 G CA 0.367 45.541 45.100 0.123 0.000 0.755 531 G HN 0.317 nan 8.290 nan 0.000 0.507 532 V N 0.622 120.608 119.914 0.121 0.000 2.760 532 V HA 0.848 4.966 4.120 -0.002 0.000 0.309 532 V C 0.355 176.469 176.094 0.034 0.000 1.077 532 V CA 0.195 62.535 62.300 0.065 0.000 0.910 532 V CB 2.351 34.203 31.823 0.049 0.000 1.008 532 V HN 1.050 nan 8.190 nan 0.000 0.424 533 T N 3.954 118.511 114.554 0.006 0.000 2.744 533 T HA 0.846 5.194 4.350 -0.002 0.000 0.291 533 T C -0.210 174.465 174.700 -0.042 0.000 0.957 533 T CA 0.026 62.120 62.100 -0.010 0.000 1.002 533 T CB 1.303 70.169 68.868 -0.004 0.000 0.919 533 T HN 1.297 nan 8.240 nan 0.000 0.468 534 A N 2.968 125.756 122.820 -0.054 0.000 2.325 534 A HA 0.852 5.171 4.320 -0.002 0.000 0.333 534 A C 0.313 177.850 177.584 -0.079 0.000 1.155 534 A CA -0.993 50.988 52.037 -0.093 0.000 0.814 534 A CB 0.914 19.846 19.000 -0.114 0.000 1.206 534 A HN 1.394 nan 8.150 nan 0.000 0.482 535 A N 2.989 125.747 122.820 -0.103 0.000 2.294 535 A HA 0.551 4.870 4.320 -0.002 0.000 0.316 535 A C 0.007 177.549 177.584 -0.070 0.000 1.359 535 A CA -0.466 51.532 52.037 -0.065 0.000 0.956 535 A CB -0.368 18.603 19.000 -0.049 0.000 1.155 535 A HN 0.630 nan 8.150 nan 0.000 0.544 536 I N 2.243 122.791 120.570 -0.037 0.000 2.517 536 I HA 0.110 4.278 4.170 -0.002 0.000 0.285 536 I C -0.302 175.816 176.117 0.001 0.000 1.106 536 I CA 0.137 61.422 61.300 -0.026 0.000 1.402 536 I CB 0.215 38.209 38.000 -0.010 0.000 1.399 536 I HN 0.454 nan 8.210 nan 0.000 0.535 537 D N 6.351 126.754 120.400 0.005 0.000 2.460 537 D HA 0.353 4.992 4.640 -0.002 0.000 0.232 537 D C -0.600 175.725 176.300 0.042 0.000 1.079 537 D CA -0.467 53.558 54.000 0.043 0.000 0.864 537 D CB 0.969 41.815 40.800 0.076 0.000 1.048 537 D HN 0.116 nan 8.370 nan 0.000 0.523 538 L N 3.929 125.175 121.223 0.038 0.000 2.315 538 L HA 0.355 4.694 4.340 -0.002 0.000 0.283 538 L C -0.019 176.875 176.870 0.041 0.000 1.089 538 L CA 0.078 54.938 54.840 0.033 0.000 0.833 538 L CB 0.347 42.422 42.059 0.025 0.000 1.170 538 L HN 0.274 nan 8.230 nan 0.000 0.442 539 L N 4.902 126.151 121.223 0.044 0.000 2.298 539 L HA 0.668 5.006 4.340 -0.002 0.000 0.268 539 L C -2.159 174.734 176.870 0.038 0.000 1.010 539 L CA -2.080 52.788 54.840 0.046 0.000 0.812 539 L CB 1.488 43.582 42.059 0.057 0.000 1.331 539 L HN 0.369 nan 8.230 nan 0.000 0.450 540 P HA 0.301 nan 4.420 nan 0.000 0.279 540 P C -2.694 174.630 177.300 0.040 0.000 1.252 540 P CA -1.666 61.452 63.100 0.029 0.000 0.811 540 P CB 0.299 32.008 31.700 0.015 0.000 1.035 541 P HA 0.219 nan 4.420 nan 0.000 0.293 541 P C -1.037 176.336 177.300 0.122 0.000 1.291 541 P CA -0.309 62.856 63.100 0.109 0.000 0.867 541 P CB 0.803 32.572 31.700 0.115 0.000 1.074 542 H N -0.071 119.012 119.070 0.022 0.000 2.556 542 H HA 0.327 4.881 4.556 -0.002 0.000 0.310 542 H C 0.327 175.671 175.328 0.028 0.000 1.057 542 H CA -0.695 55.368 56.048 0.025 0.000 1.264 542 H CB 0.864 30.638 29.762 0.019 0.000 1.404 542 H HN 0.389 nan 8.280 nan 0.000 0.462 543 S N 3.482 119.191 115.700 0.016 0.000 2.559 543 S HA 0.052 4.521 4.470 -0.002 0.000 0.226 543 S C 1.175 175.783 174.600 0.014 0.000 1.000 543 S CA -0.145 58.040 58.200 -0.025 0.000 0.948 543 S CB -0.224 62.978 63.200 0.003 0.000 0.870 543 S HN 0.688 nan 8.310 nan 0.000 0.497 544 I N -1.606 118.995 120.570 0.052 0.000 4.081 544 I HA 0.456 4.624 4.170 -0.002 0.000 0.333 544 I C -2.249 173.906 176.117 0.064 0.000 1.413 544 I CA -1.541 59.797 61.300 0.063 0.000 1.110 544 I CB -1.272 36.776 38.000 0.081 0.000 1.082 544 I HN -0.054 nan 8.210 nan 0.000 0.402 545 P HA -0.160 nan 4.420 nan 0.000 0.283 545 P C -0.017 177.328 177.300 0.075 0.000 1.402 545 P CA 0.774 63.932 63.100 0.096 0.000 1.005 545 P CB 0.410 32.166 31.700 0.094 0.000 0.788 546 R N -0.711 119.839 120.500 0.083 0.000 2.517 546 R HA 0.496 4.835 4.340 -0.002 0.000 0.250 546 R C 0.709 177.058 176.300 0.081 0.000 1.213 546 R CA -0.537 55.612 56.100 0.081 0.000 1.146 546 R CB -0.315 30.043 30.300 0.097 0.000 1.279 546 R HN 0.563 nan 8.270 nan 0.000 0.597 547 T N -2.808 111.796 114.554 0.083 0.000 2.814 547 T HA 0.056 4.405 4.350 -0.002 0.000 0.284 547 T C 1.201 175.973 174.700 0.119 0.000 0.998 547 T CA -0.637 61.512 62.100 0.080 0.000 0.935 547 T CB 1.091 69.997 68.868 0.063 0.000 1.167 547 T HN 0.399 nan 8.240 nan 0.000 0.545 548 S N -0.280 115.489 115.700 0.114 0.000 2.481 548 S HA -0.020 4.448 4.470 -0.002 0.000 0.231 548 S C 1.902 176.641 174.600 0.233 0.000 0.996 548 S CA 0.814 59.111 58.200 0.162 0.000 0.942 548 S CB -0.851 62.424 63.200 0.125 0.000 0.768 548 S HN 0.791 nan 8.310 nan 0.000 0.520 549 S N -0.163 115.604 115.700 0.111 0.000 2.575 549 S HA 0.391 4.860 4.470 -0.002 0.000 0.215 549 S C 1.352 175.747 174.600 -0.342 0.000 0.966 549 S CA 0.435 58.599 58.200 -0.060 0.000 0.911 549 S CB 0.157 63.342 63.200 -0.025 0.000 0.780 549 S HN 0.756 nan 8.310 nan 0.000 0.514 550 G N 1.885 110.676 108.800 -0.015 0.000 2.132 550 G HA2 -0.273 3.686 3.960 -0.002 0.000 0.228 550 G HA3 -0.273 3.686 3.960 -0.002 0.000 0.228 550 G C -0.148 174.815 174.900 0.106 0.000 1.000 550 G CA 0.308 45.475 45.100 0.112 0.000 0.693 550 G HN 0.844 nan 8.290 nan 0.000 0.515 551 K N -0.915 119.530 120.400 0.075 0.000 2.303 551 K HA 0.839 5.158 4.320 -0.002 0.000 0.233 551 K C -3.104 173.544 176.600 0.079 0.000 1.046 551 K CA -2.488 53.853 56.287 0.091 0.000 0.895 551 K CB 1.671 34.222 32.500 0.085 0.000 1.220 551 K HN -0.018 nan 8.250 nan 0.000 0.470 552 P HA 0.087 nan 4.420 nan 0.000 0.276 552 P C -0.909 176.424 177.300 0.055 0.000 1.253 552 P CA -0.330 62.810 63.100 0.068 0.000 0.766 552 P CB 0.971 32.719 31.700 0.079 0.000 0.845 553 A N 4.717 127.563 122.820 0.044 0.000 3.052 553 A HA 0.015 4.334 4.320 -0.002 0.000 0.266 553 A C 1.675 179.251 177.584 -0.012 0.000 1.855 553 A CA -0.021 52.027 52.037 0.019 0.000 1.473 553 A CB -0.983 18.027 19.000 0.017 0.000 1.038 553 A HN 0.440 nan 8.150 nan 0.000 0.619 554 R N 0.945 121.444 120.500 -0.002 0.000 2.082 554 R HA -0.204 4.135 4.340 -0.002 0.000 0.234 554 R C 2.445 178.658 176.300 -0.146 0.000 1.136 554 R CA 1.702 57.788 56.100 -0.024 0.000 0.935 554 R CB -0.277 30.040 30.300 0.028 0.000 0.842 554 R HN 0.676 nan 8.270 nan 0.000 0.430 555 A N 0.976 123.733 122.820 -0.105 0.000 1.940 555 A HA -0.231 4.087 4.320 -0.002 0.000 0.219 555 A C 2.025 179.510 177.584 -0.166 0.000 1.176 555 A CA 1.798 53.752 52.037 -0.139 0.000 0.631 555 A CB -0.380 18.574 19.000 -0.077 0.000 0.814 555 A HN 0.329 nan 8.150 nan 0.000 0.446 556 E N 0.486 120.618 120.200 -0.113 0.000 2.047 556 E HA -0.033 4.315 4.350 -0.002 0.000 0.191 556 E C 1.980 178.493 176.600 -0.145 0.000 0.987 556 E CA 1.685 58.032 56.400 -0.088 0.000 0.799 556 E CB -0.585 29.095 29.700 -0.033 0.000 0.752 556 E HN 0.427 nan 8.360 nan 0.000 0.449 557 A N 1.072 123.774 122.820 -0.195 0.000 1.972 557 A HA -0.220 4.099 4.320 -0.002 0.000 0.219 557 A C 2.195 179.423 177.584 -0.595 0.000 1.169 557 A CA 1.909 53.795 52.037 -0.252 0.000 0.635 557 A CB -0.669 18.239 19.000 -0.154 0.000 0.810 557 A HN 0.307 nan 8.150 nan 0.000 0.446 558 K N -0.720 119.102 120.400 -0.962 0.000 2.097 558 K HA -0.200 4.118 4.320 -0.002 0.000 0.206 558 K C 1.772 178.148 176.600 -0.373 0.000 1.049 558 K CA 1.736 57.297 56.287 -1.211 0.000 0.933 558 K CB -0.058 31.974 32.500 -0.781 0.000 0.717 558 K HN 0.241 nan 8.250 nan 0.000 0.442 559 K N 0.359 120.635 120.400 -0.208 0.000 2.098 559 K HA 0.088 4.407 4.320 -0.002 0.000 0.203 559 K C 1.994 178.596 176.600 0.003 0.000 1.051 559 K CA 0.723 56.977 56.287 -0.055 0.000 0.957 559 K CB -0.102 32.378 32.500 -0.034 0.000 0.738 559 K HN 0.071 nan 8.250 nan 0.000 0.447 560 R N -0.621 119.870 120.500 -0.015 0.000 2.134 560 R HA -0.237 4.102 4.340 -0.002 0.000 0.248 560 R C 2.205 178.558 176.300 0.088 0.000 1.143 560 R CA 2.139 58.256 56.100 0.028 0.000 0.957 560 R CB -0.559 29.755 30.300 0.023 0.000 0.867 560 R HN 0.274 nan 8.270 nan 0.000 0.441 561 Y N 1.264 121.564 120.300 0.001 0.000 2.145 561 Y HA -0.283 4.266 4.550 -0.003 0.000 0.286 561 Y C 2.547 178.512 175.900 0.108 0.000 1.145 561 Y CA 1.969 60.130 58.100 0.102 0.000 1.148 561 Y CB -0.347 38.258 38.460 0.242 0.000 0.981 561 Y HN 0.035 nan 8.280 nan 0.000 0.507 562 Q N 1.199 121.182 119.800 0.305 0.000 2.030 562 Q HA -0.242 4.097 4.340 -0.002 0.000 0.204 562 Q C 2.407 178.487 176.000 0.134 0.000 0.986 562 Q CA 2.698 58.619 55.803 0.196 0.000 0.843 562 Q CB -0.487 28.324 28.738 0.122 0.000 0.904 562 Q HN 0.568 nan 8.270 nan 0.000 0.420 563 K N -0.554 119.898 120.400 0.086 0.000 2.074 563 K HA -0.200 4.119 4.320 -0.002 0.000 0.209 563 K C 1.904 178.529 176.600 0.043 0.000 1.048 563 K CA 1.627 57.950 56.287 0.060 0.000 0.926 563 K CB -0.439 32.083 32.500 0.037 0.000 0.713 563 K HN 0.206 nan 8.250 nan 0.000 0.444 564 A N 0.926 123.755 122.820 0.015 0.000 1.883 564 A HA -0.216 4.102 4.320 -0.002 0.000 0.217 564 A C 2.164 179.728 177.584 -0.033 0.000 1.186 564 A CA 1.614 53.631 52.037 -0.032 0.000 0.624 564 A CB -1.092 17.859 19.000 -0.082 0.000 0.822 564 A HN 0.679 nan 8.150 nan 0.000 0.444 565 Y N 0.710 120.887 120.300 -0.204 0.000 2.352 565 Y HA 0.057 4.606 4.550 -0.002 0.000 0.292 565 Y C 2.336 178.191 175.900 -0.074 0.000 1.136 565 Y CA 0.746 58.736 58.100 -0.183 0.000 1.227 565 Y CB -0.497 37.828 38.460 -0.225 0.000 0.991 565 Y HN 0.277 nan 8.280 nan 0.000 0.545 566 A N 0.764 123.673 122.820 0.149 0.000 2.172 566 A HA 0.168 4.486 4.320 -0.002 0.000 0.216 566 A C 1.829 179.382 177.584 -0.052 0.000 1.154 566 A CA 0.805 52.876 52.037 0.057 0.000 0.701 566 A CB -1.205 17.856 19.000 0.103 0.000 0.789 566 A HN 0.547 nan 8.150 nan 0.000 0.465 567 A N 0.925 123.704 122.820 -0.068 0.000 3.074 567 A HA 0.505 4.823 4.320 -0.002 0.000 0.251 567 A C 0.765 178.269 177.584 -0.133 0.000 1.695 567 A CA 0.427 52.416 52.037 -0.080 0.000 1.343 567 A CB -1.120 17.846 19.000 -0.057 0.000 1.078 567 A HN 0.763 nan 8.150 nan 0.000 0.644 568 S N 0.000 115.593 115.700 -0.178 0.000 2.498 568 S HA 0.000 4.469 4.470 -0.002 0.000 0.327 568 S CA 0.000 58.075 58.200 -0.208 0.000 1.107 568 S CB 0.000 62.968 63.200 -0.387 0.000 0.593 568 S HN 0.000 nan 8.310 nan 0.000 0.517